3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine

C14H21ClN2 — CID 113458617

IUPAC3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine
SMILESCC(Nc1cccc(Cl)c1N)C1CCCCC1
InChIInChI=1S/C14H21ClN2/c1-10(11-6-3-2-4-7-11)17-13-9-5-8-12(15)14(13)16/h5,8-11,17H,2-4,6-7,16H2,1H3
InChIKeyAHXAMNGTAPMQSE-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.30
Rot. Bonds3

About 3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine

3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine (PubChem CID 113458617) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine
PubChem CID113458617
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine
SMILESCC(Nc1cccc(Cl)c1N)C1CCCCC1
InChIInChI=1S/C14H21ClN2/c1-10(11-6-3-2-4-7-11)17-13-9-5-8-12(15)14(13)16/h5,8-11,17H,2-4,6-7,16H2,1H3
InChIKeyAHXAMNGTAPMQSE-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
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

3-chloro-N-(1-cyclopropylethyl)-2-methylaniline
CID 43192017
methyl 2-amino-3-(1-cyclopentylethylamino)benzoate
CID 113333032
2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline
CID 103477842
2,4,5-trichloro-N-(1-cyclohexylethyl)aniline
CID 63419239
2-chloro-N-(1-cyclopentylethyl)-6-methylaniline
CID 66252662
3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine
CID 104834785
N-(1-cyclohexylethyl)-2-propan-2-ylaniline
CID 43759431
2-chloro-N-(1-cyclopentylethyl)pyridin-3-amine
CID 62633166
2-chloro-6-(1-cyclopropylethylamino)benzenecarbothioamide
CID 62502790
3-chloro-1-N-(3-ethylpentan-2-yl)benzene-1,2-diamine
CID 104834569
3-chloro-1-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 104834574
1-N-butan-2-yl-3-chlorobenzene-1,2-diamine
CID 104833933

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine (CID 113458617) is 3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine is CC(Nc1cccc(Cl)c1N)C1CCCCC1.
What is the InChIKey of 3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine?
The InChIKey is AHXAMNGTAPMQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10(11-6-3-2-4-7-11)17-13-9-5-8-12(15)14(13)16/h5,8-11,17H,2-4,6-7,16H2,1H3.
What are the key properties of 3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine?
3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine has a molecular weight of 252.79 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine is sourced from PubChem (CID 113458617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).