N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine

C73H114Cl2F3N11 — CID 157165746

IUPACN-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(F)c(NC2CCN(C)CC2)c(F)c1.CC(C)c1ccc(NC2CCN(C)CC2)c(Cl)c1.CC(C)c1ccc(NC2CCN(C)CC2)c(F)c1.CC(C)c1ccc(NCCN(C)C)c(Cl)c1.CC(C)c1ccc(NCCN2CCCCC2)nc1
InChIInChI=1S/C15H23ClN2.C15H22F2N2.C15H23FN2.C15H25N3.C13H21ClN2/c1-11(2)12-4-5-15(14(16)10-12)17-13-6-8-18(3)9-7-13;1-10(2)11-8-13(16)15(14(17)9-11)18-12-4-6-19(3)7-5-12;1-11(2)12-4-5-15(14(16)10-12)17-13-6-8-18(3)9-7-13;1-13(2)14-6-7-15(17-12-14)16-8-11-18-9-4-3-5-10-18;1-10(2)11-5-6-13(12(14)9-11)15-7-8-16(3)4/h4-5,10-11,13,17H,6-9H2,1-3H3;8-10,12,18H,4-7H2,1-3H3;4-5,10-11,13,17H,6-9H2,1-3H3;6-7,12-13H,3-5,8-11H2,1-2H3,(H,16,17);5-6,9-10,15H,7-8H2,1-4H3
InChIKeyAMWREIPIQSYNBZ-UHFFFAOYSA-N
MW1273.69 g/mol
LogP17.56
Rot. Bonds19

About N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine

N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine (PubChem CID 157165746) has the molecular formula C73H114Cl2F3N11 and a molecular weight of 1273.69 g/mol. Its IUPAC name is N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine
PubChem CID157165746
Molecular FormulaC73H114Cl2F3N11
Molecular Weight1273.69 g/mol
Exact Mass1271.86
IUPAC NameN-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(F)c(NC2CCN(C)CC2)c(F)c1.CC(C)c1ccc(NC2CCN(C)CC2)c(Cl)c1.CC(C)c1ccc(NC2CCN(C)CC2)c(F)c1.CC(C)c1ccc(NCCN(C)C)c(Cl)c1.CC(C)c1ccc(NCCN2CCCCC2)nc1
InChIInChI=1S/C15H23ClN2.C15H22F2N2.C15H23FN2.C15H25N3.C13H21ClN2/c1-11(2)12-4-5-15(14(16)10-12)17-13-6-8-18(3)9-7-13;1-10(2)11-8-13(16)15(14(17)9-11)18-12-4-6-19(3)7-5-12;1-11(2)12-4-5-15(14(16)10-12)17-13-6-8-18(3)9-7-13;1-13(2)14-6-7-15(17-12-14)16-8-11-18-9-4-3-5-10-18;1-10(2)11-5-6-13(12(14)9-11)15-7-8-16(3)4/h4-5,10-11,13,17H,6-9H2,1-3H3;8-10,12,18H,4-7H2,1-3H3;4-5,10-11,13,17H,6-9H2,1-3H3;6-7,12-13H,3-5,8-11H2,1-2H3,(H,16,17);5-6,9-10,15H,7-8H2,1-4H3
InChIKeyAMWREIPIQSYNBZ-UHFFFAOYSA-N
XLogP17.56
TPSA89.24 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001273.69
LogP ≤ 517.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine with MolForge

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Related Compounds

5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyridin-2-amine
CID 68405483
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]pyridin-2-amine
CID 68405612
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]pyridin-2-amine
CID 70793967
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[4-(piperidin-1-ylmethyl)cyclohexyl]pyridin-2-amine
CID 70793968
6-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-N,4-N-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 10205909
6-[(2R)-4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl]-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 11497090
6-[(2R)-4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 11498196
6-[(2R)-4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl]-4-N,4-N-dipropyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 11504915
4-[4-(3-chloropyridin-2-yl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 11519212
6-[4-(3-chloropyridin-2-yl)piperazin-1-yl]-4-N-ethyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 11533727
6-[(2R)-4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl]-4-N,4-N-bis(prop-2-enyl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 11577506
6-[4-(3-chloropyridin-2-yl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 11627570

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine?
The IUPAC name of N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine (CID 157165746) is N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine is CC(C)c1cc(F)c(NC2CCN(C)CC2)c(F)c1.CC(C)c1ccc(NC2CCN(C)CC2)c(Cl)c1.CC(C)c1ccc(NC2CCN(C)CC2)c(F)c1.CC(C)c1ccc(NCCN(C)C)c(Cl)c1.CC(C)c1ccc(NCCN2CCCCC2)nc1.
What is the InChIKey of N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine?
The InChIKey is AMWREIPIQSYNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2.C15H22F2N2.C15H23FN2.C15H25N3.C13H21ClN2/c1-11(2)12-4-5-15(14(16)10-12)17-13-6-8-18(3)9-7-13;1-10(2)11-8-13(16)15(14(17)9-11)18-12-4-6-19(3)7-5-12;1-11(2)12-4-5-15(14(16)10-12)17-13-6-8-18(3)9-7-13;1-13(2)14-6-7-15(17-12-14)16-8-11-18-9-4-3-5-10-18;1-10(2)11-5-6-13(12(14)9-11)15-7-8-16(3)4/h4-5,10-11,13,17H,6-9H2,1-3H3;8-10,12,18H,4-7H2,1-3H3;4-5,10-11,13,17H,6-9H2,1-3H3;6-7,12-13H,3-5,8-11H2,1-2H3,(H,16,17);5-6,9-10,15H,7-8H2,1-4H3.
What are the key properties of N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine?
N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine has a molecular weight of 1273.69 g/mol, XLogP of 17.56, 19 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-propan-2-ylphenyl)-N',N'-dimethylethane-1,2-diamine;N-(2-chloro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2,6-difluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-fluoro-4-propan-2-ylphenyl)-1-methylpiperidin-4-amine;N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 157165746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).