1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine

C20H24Cl2N2 — CID 51040605

IUPAC1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
SMILESClc1ccc(CNC2CCCCC2NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24Cl2N2/c21-17-9-5-15(6-10-17)13-23-19-3-1-2-4-20(19)24-14-16-7-11-18(22)12-8-16/h5-12,19-20,23-24H,1-4,13-14H2
InChIKeyFQHCMJGVOMGZJD-UHFFFAOYSA-N
MW363.33 g/mol
LogP5.18
Rot. Bonds6

About 1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine

1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine (PubChem CID 51040605) has the molecular formula C20H24Cl2N2 and a molecular weight of 363.33 g/mol. Its IUPAC name is 1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
PubChem CID51040605
Molecular FormulaC20H24Cl2N2
Molecular Weight363.33 g/mol
Exact Mass362.13
IUPAC Name1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
SMILESClc1ccc(CNC2CCCCC2NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24Cl2N2/c21-17-9-5-15(6-10-17)13-23-19-3-1-2-4-20(19)24-14-16-7-11-18(22)12-8-16/h5-12,19-20,23-24H,1-4,13-14H2
InChIKeyFQHCMJGVOMGZJD-UHFFFAOYSA-N
XLogP5.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.33
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine
CID 115117343
trans-(1R,2R)-1-N-[(4-chlorophenyl)methyl]-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
CID 102435304
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017
trans-(1R,2R)-1-N-[(4-chlorophenyl)methyl]-2-N-heptan-2-ylcyclohexane-1,2-diamine
CID 102435306
trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine
CID 122225965
1-N,2-N-bis[(3-chlorophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040602
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine
CID 81145754
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120
trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine (CID 51040605) is 1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine is Clc1ccc(CNC2CCCCC2NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is FQHCMJGVOMGZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2/c21-17-9-5-15(6-10-17)13-23-19-3-1-2-4-20(19)24-14-16-7-11-18(22)12-8-16/h5-12,19-20,23-24H,1-4,13-14H2.
What are the key properties of 1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine?
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine has a molecular weight of 363.33 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 51040605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).