4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine

C14H21ClN2 — CID 55013528

IUPAC4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine
SMILESCC1CCCCC1CNc1ccc(Cl)cc1N
InChIInChI=1S/C14H21ClN2/c1-10-4-2-3-5-11(10)9-17-14-7-6-12(15)8-13(14)16/h6-8,10-11,17H,2-5,9,16H2,1H3
InChIKeySPIZKXRHUHOSTN-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.16
Rot. Bonds3

About 4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine

4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine (PubChem CID 55013528) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine
PubChem CID55013528
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine
SMILESCC1CCCCC1CNc1ccc(Cl)cc1N
InChIInChI=1S/C14H21ClN2/c1-10-4-2-3-5-11(10)9-17-14-7-6-12(15)8-13(14)16/h6-8,10-11,17H,2-5,9,16H2,1H3
InChIKeySPIZKXRHUHOSTN-UHFFFAOYSA-N
XLogP4.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(2-methylcyclohexyl)methylamino]benzenecarbothioamide
CID 55225378
3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide
CID 107416557
2-amino-5-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 55013606
4-ethoxy-5-fluoro-2-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 63593053
2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine
CID 55013391
4-chloro-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62976267
2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol
CID 115469089
5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide
CID 63500607
4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63826034
4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine
CID 107416598
3-fluoro-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 63511861
4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide
CID 63358840

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine (CID 55013528) is 4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine is CC1CCCCC1CNc1ccc(Cl)cc1N.
What is the InChIKey of 4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine?
The InChIKey is SPIZKXRHUHOSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-4-2-3-5-11(10)9-17-14-7-6-12(15)8-13(14)16/h6-8,10-11,17H,2-5,9,16H2,1H3.
What are the key properties of 4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine?
4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine has a molecular weight of 252.79 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 55013528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).