1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine

C177H266Cl3N27O14 — CID 158208845

IUPAC1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine
SMILESCCNC.CNCC(O)c1ccc(O)cc1.CNCC1OCCO1.CNCCC=C1c2ccccc2CCc2ccccc21.CNCCCCCCOc1ccc(OC)cc1.CNCCCN(C)C.CNCCCN1c2ccccc2CCc2ccccc21.CNCCN(C)C.CNCCc1ccc(OC)c(OC)c1.CNCCc1ccccn1.CNC[C@H](O)c1ccc(O)c(O)c1.CNCc1ccc(Cl)cc1Cl.CNCc1ccccc1Cl.CNCc1cccnc1.CN[C@H](C)c1cccc2ccccc12.O=[N+]([O-])c1ccc(CN2CCCNCC2)nc1.OCCCNCc1ccncc1.c1ccc(CCCC2CCNCC2)cc1
InChIInChI=1S/C19H21N.C18H22N2.C14H23NO2.C14H21N.C13H15N.C11H16N4O2.C11H17NO2.C9H14N2O.C9H13NO3.C9H13NO2.C8H9Cl2N.C8H10ClN.C8H12N2.C7H10N2.C6H16N2.C5H14N2.C5H11NO2.C3H9N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;1-15-11-5-3-4-6-12-17-14-9-7-13(16-2)8-10-14;1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14;1-10(14-2)12-9-5-7-11-6-3-4-8-13(11)12;16-15(17)11-3-2-10(13-8-11)9-14-6-1-4-12-5-7-14;1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;12-7-1-4-11-8-9-2-5-10-6-3-9;1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-10-6-9(12)7-2-4-8(11)5-3-7;1-11-5-6-2-3-7(9)4-8(6)10;1-10-6-7-4-2-3-5-8(7)9;1-9-7-5-8-4-2-3-6-10-8;1-8-5-7-3-2-4-9-6-7;1-7-5-4-6-8(2)3;1-6-4-5-7(2)3;1-6-4-5-7-2-3-8-5;1-3-4-2/h2-5,7-11,20H,6,12-14H2,1H3;2-5,7-10,19H,6,11-14H2,1H3;7-10,15H,3-6,11-12H2,1-2H3;1-3,5-6,14-15H,4,7-12H2;3-10,14H,1-2H3;2-3,8,12H,1,4-7,9H2;4-5,8,12H,6-7H2,1-3H3;2-3,5-6,11-12H,1,4,7-8H2;2-4,9-13H,5H2,1H3;2-5,9-12H,6H2,1H3;2-4,11H,5H2,1H3;2-5,10H,6H2,1H3;2-4,6,9H,5,7H2,1H3;2-4,6,8H,5H2,1H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;5-6H,2-4H2,1H3;4H,3H2,1-2H3/t;;;;10-;;;;9-;;;;;;;;;/m....1...0........./s1
InChIKeyGBUZRQKRUCVHIH-YOJHTJQJSA-N
MW3102.61 g/mol
LogP26.29
Rot. Bonds60

About 1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine

1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 158208845) has the molecular formula C177H266Cl3N27O14 and a molecular weight of 3102.61 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine
PubChem CID158208845
Molecular FormulaC177H266Cl3N27O14
Molecular Weight3102.61 g/mol
Exact Mass3099.00
IUPAC Name1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine
SMILESCCNC.CNCC(O)c1ccc(O)cc1.CNCC1OCCO1.CNCCC=C1c2ccccc2CCc2ccccc21.CNCCCCCCOc1ccc(OC)cc1.CNCCCN(C)C.CNCCCN1c2ccccc2CCc2ccccc21.CNCCN(C)C.CNCCc1ccc(OC)c(OC)c1.CNCCc1ccccn1.CNC[C@H](O)c1ccc(O)c(O)c1.CNCc1ccc(Cl)cc1Cl.CNCc1ccccc1Cl.CNCc1cccnc1.CN[C@H](C)c1cccc2ccccc12.O=[N+]([O-])c1ccc(CN2CCCNCC2)nc1.OCCCNCc1ccncc1.c1ccc(CCCC2CCNCC2)cc1
InChIInChI=1S/C19H21N.C18H22N2.C14H23NO2.C14H21N.C13H15N.C11H16N4O2.C11H17NO2.C9H14N2O.C9H13NO3.C9H13NO2.C8H9Cl2N.C8H10ClN.C8H12N2.C7H10N2.C6H16N2.C5H14N2.C5H11NO2.C3H9N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;1-15-11-5-3-4-6-12-17-14-9-7-13(16-2)8-10-14;1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14;1-10(14-2)12-9-5-7-11-6-3-4-8-13(11)12;16-15(17)11-3-2-10(13-8-11)9-14-6-1-4-12-5-7-14;1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;12-7-1-4-11-8-9-2-5-10-6-3-9;1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-10-6-9(12)7-2-4-8(11)5-3-7;1-11-5-6-2-3-7(9)4-8(6)10;1-10-6-7-4-2-3-5-8(7)9;1-9-7-5-8-4-2-3-6-10-8;1-8-5-7-3-2-4-9-6-7;1-7-5-4-6-8(2)3;1-6-4-5-7(2)3;1-6-4-5-7-2-3-8-5;1-3-4-2/h2-5,7-11,20H,6,12-14H2,1H3;2-5,7-10,19H,6,11-14H2,1H3;7-10,15H,3-6,11-12H2,1-2H3;1-3,5-6,14-15H,4,7-12H2;3-10,14H,1-2H3;2-3,8,12H,1,4-7,9H2;4-5,8,12H,6-7H2,1-3H3;2-3,5-6,11-12H,1,4,7-8H2;2-4,9-13H,5H2,1H3;2-5,9-12H,6H2,1H3;2-4,11H,5H2,1H3;2-5,10H,6H2,1H3;2-4,6,9H,5,7H2,1H3;2-4,6,8H,5H2,1H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;5-6H,2-4H2,1H3;4H,3H2,1-2H3/t;;;;10-;;;;9-;;;;;;;;;/m....1...0........./s1
InChIKeyGBUZRQKRUCVHIH-YOJHTJQJSA-N
XLogP26.29
TPSA500.96 Ų
H-Bond Donors24
H-Bond Acceptors40
Rotatable Bonds60
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003102.61
LogP ≤ 526.29
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine with MolForge

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Related Compounds

1-(2-chlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine
CID 157857156
tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine
CID 158930298
1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-[(2,6-dimethoxyphenyl)methyl]-N-methylpiperidin-4-amine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[1-hydroxy-2-(methylamino)ethyl]phenol;3-(methylamino)-1-phenylpropan-1-ol;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-(4-nitrophenyl)ethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine
CID 160253008

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine (CID 158208845) is 1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine is CCNC.CNCC(O)c1ccc(O)cc1.CNCC1OCCO1.CNCCC=C1c2ccccc2CCc2ccccc21.CNCCCCCCOc1ccc(OC)cc1.CNCCCN(C)C.CNCCCN1c2ccccc2CCc2ccccc21.CNCCN(C)C.CNCCc1ccc(OC)c(OC)c1.CNCCc1ccccn1.CNC[C@H](O)c1ccc(O)c(O)c1.CNCc1ccc(Cl)cc1Cl.CNCc1ccccc1Cl.CNCc1cccnc1.CN[C@H](C)c1cccc2ccccc12.O=[N+]([O-])c1ccc(CN2CCCNCC2)nc1.OCCCNCc1ccncc1.c1ccc(CCCC2CCNCC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is GBUZRQKRUCVHIH-YOJHTJQJSA-N. The full InChI is InChI=1S/C19H21N.C18H22N2.C14H23NO2.C14H21N.C13H15N.C11H16N4O2.C11H17NO2.C9H14N2O.C9H13NO3.C9H13NO2.C8H9Cl2N.C8H10ClN.C8H12N2.C7H10N2.C6H16N2.C5H14N2.C5H11NO2.C3H9N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;1-15-11-5-3-4-6-12-17-14-9-7-13(16-2)8-10-14;1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14;1-10(14-2)12-9-5-7-11-6-3-4-8-13(11)12;16-15(17)11-3-2-10(13-8-11)9-14-6-1-4-12-5-7-14;1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;12-7-1-4-11-8-9-2-5-10-6-3-9;1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-10-6-9(12)7-2-4-8(11)5-3-7;1-11-5-6-2-3-7(9)4-8(6)10;1-10-6-7-4-2-3-5-8(7)9;1-9-7-5-8-4-2-3-6-10-8;1-8-5-7-3-2-4-9-6-7;1-7-5-4-6-8(2)3;1-6-4-5-7(2)3;1-6-4-5-7-2-3-8-5;1-3-4-2/h2-5,7-11,20H,6,12-14H2,1H3;2-5,7-10,19H,6,11-14H2,1H3;7-10,15H,3-6,11-12H2,1-2H3;1-3,5-6,14-15H,4,7-12H2;3-10,14H,1-2H3;2-3,8,12H,1,4-7,9H2;4-5,8,12H,6-7H2,1-3H3;2-3,5-6,11-12H,1,4,7-8H2;2-4,9-13H,5H2,1H3;2-5,9-12H,6H2,1H3;2-4,11H,5H2,1H3;2-5,10H,6H2,1H3;2-4,6,9H,5,7H2,1H3;2-4,6,8H,5H2,1H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;5-6H,2-4H2,1H3;4H,3H2,1-2H3/t;;;;10-;;;;9-;;;;;;;;;/m....1...0........./s1.
What are the key properties of 1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine?
1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 3102.61 g/mol, XLogP of 26.29, 60 rotatable bonds, 24 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methylmethanamine;1-(2,4-dichlorophenyl)-N-methylmethanamine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;2-(3,4-dimethoxyphenyl)-N-methylethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;(1R)-N-methyl-1-naphthalen-1-ylethanamine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 158208845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).