N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile

C86H128ClF4N11O2 — CID 159021192

IUPACN-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile
SMILESCC(C)N(C)Cc1ccc(F)cc1.CC(C)N(C)Cc1cccc(C(F)(F)F)c1.CC(C)N(C)Cc1ccccc1Cl.CC(C)NCc1ccc(C#N)cc1.CC(C)NCc1ccc(N2CCN(C)CC2)cc1.CC(C)NCc1ccc(N2CCOCC2)cc1.COc1ccc(CN(C)C(C)C)cc1
InChIInChI=1S/C15H25N3.C14H22N2O.C12H16F3N.C12H19NO.C11H16ClN.C11H16FN.C11H14N2/c1-13(2)16-12-14-4-6-15(7-5-14)18-10-8-17(3)9-11-18;1-12(2)15-11-13-3-5-14(6-4-13)16-7-9-17-10-8-16;1-9(2)16(3)8-10-5-4-6-11(7-10)12(13,14)15;1-10(2)13(3)9-11-5-7-12(14-4)8-6-11;1-9(2)13(3)8-10-6-4-5-7-11(10)12;1-9(2)13(3)8-10-4-6-11(12)7-5-10;1-9(2)13-8-11-5-3-10(7-12)4-6-11/h4-7,13,16H,8-12H2,1-3H3;3-6,12,15H,7-11H2,1-2H3;4-7,9H,8H2,1-3H3;5-8,10H,9H2,1-4H3;2*4-7,9H,8H2,1-3H3;3-6,9,13H,8H2,1-2H3
InChIKeyJTSLPFRFSXUMRD-UHFFFAOYSA-N
MW1459.49 g/mol
LogP17.94
Rot. Bonds24

About N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile

N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile (PubChem CID 159021192) has the molecular formula C86H128ClF4N11O2 and a molecular weight of 1459.49 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile
PubChem CID159021192
Molecular FormulaC86H128ClF4N11O2
Molecular Weight1459.49 g/mol
Exact Mass1457.99
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile
SMILESCC(C)N(C)Cc1ccc(F)cc1.CC(C)N(C)Cc1cccc(C(F)(F)F)c1.CC(C)N(C)Cc1ccccc1Cl.CC(C)NCc1ccc(C#N)cc1.CC(C)NCc1ccc(N2CCN(C)CC2)cc1.CC(C)NCc1ccc(N2CCOCC2)cc1.COc1ccc(CN(C)C(C)C)cc1
InChIInChI=1S/C15H25N3.C14H22N2O.C12H16F3N.C12H19NO.C11H16ClN.C11H16FN.C11H14N2/c1-13(2)16-12-14-4-6-15(7-5-14)18-10-8-17(3)9-11-18;1-12(2)15-11-13-3-5-14(6-4-13)16-7-9-17-10-8-16;1-9(2)16(3)8-10-5-4-6-11(7-10)12(13,14)15;1-10(2)13(3)9-11-5-7-12(14-4)8-6-11;1-9(2)13(3)8-10-6-4-5-7-11(10)12;1-9(2)13(3)8-10-4-6-11(12)7-5-10;1-9(2)13-8-11-5-3-10(7-12)4-6-11/h4-7,13,16H,8-12H2,1-3H3;3-6,12,15H,7-11H2,1-2H3;4-7,9H,8H2,1-3H3;5-8,10H,9H2,1-4H3;2*4-7,9H,8H2,1-3H3;3-6,9,13H,8H2,1-2H3
InChIKeyJTSLPFRFSXUMRD-UHFFFAOYSA-N
XLogP17.94
TPSA101.02 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001459.49
LogP ≤ 517.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile with MolForge

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Related Compounds

N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280408
4-[[[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]amino]methyl]benzonitrile
CID 95586172
4-[[[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]amino]methyl]benzonitrile
CID 95582639
4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride
CID 48634323
2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-5-(trifluoromethyl)benzonitrile
CID 133373169
(2S)-4-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 30982638
N-[(3-methoxyphenyl)methyl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(morpholin-4-ylmethyl)aniline
CID 167465477
(2S)-N-[2-[(3-cyanophenyl)methyl-methylamino]ethyl]-N-methyl-2-[(4-morpholin-4-ylphenyl)methyl-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-3-phenylpropanamide
CID 67385422
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile;5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[2-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile;N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 158581326
(2R)-2-[(2-chlorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8541611
2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60590060
N-[(3-methoxyphenyl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
CID 167465735

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile (CID 159021192) is N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile is CC(C)N(C)Cc1ccc(F)cc1.CC(C)N(C)Cc1cccc(C(F)(F)F)c1.CC(C)N(C)Cc1ccccc1Cl.CC(C)NCc1ccc(C#N)cc1.CC(C)NCc1ccc(N2CCN(C)CC2)cc1.CC(C)NCc1ccc(N2CCOCC2)cc1.COc1ccc(CN(C)C(C)C)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile?
The InChIKey is JTSLPFRFSXUMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.C14H22N2O.C12H16F3N.C12H19NO.C11H16ClN.C11H16FN.C11H14N2/c1-13(2)16-12-14-4-6-15(7-5-14)18-10-8-17(3)9-11-18;1-12(2)15-11-13-3-5-14(6-4-13)16-7-9-17-10-8-16;1-9(2)16(3)8-10-5-4-6-11(7-10)12(13,14)15;1-10(2)13(3)9-11-5-7-12(14-4)8-6-11;1-9(2)13(3)8-10-6-4-5-7-11(10)12;1-9(2)13(3)8-10-4-6-11(12)7-5-10;1-9(2)13-8-11-5-3-10(7-12)4-6-11/h4-7,13,16H,8-12H2,1-3H3;3-6,12,15H,7-11H2,1-2H3;4-7,9H,8H2,1-3H3;5-8,10H,9H2,1-4H3;2*4-7,9H,8H2,1-3H3;3-6,9,13H,8H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile?
N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile has a molecular weight of 1459.49 g/mol, XLogP of 17.94, 24 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-fluorophenyl)methyl]-N-methylpropan-2-amine;N-[(4-methoxyphenyl)methyl]-N-methylpropan-2-amine;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine;N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine;N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine;4-[(propan-2-ylamino)methyl]benzonitrile is sourced from PubChem (CID 159021192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).