3-chloro-N-(1-cyclohexylethyl)aniline

C14H20ClN — CID 43762066

IUPAC3-chloro-N-(1-cyclohexylethyl)aniline
SMILESCC(Nc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H20ClN/c1-11(12-6-3-2-4-7-12)16-14-9-5-8-13(15)10-14/h5,8-12,16H,2-4,6-7H2,1H3
InChIKeyXWRVZPWHYBKHMZ-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.72
Rot. Bonds3

About 3-chloro-N-(1-cyclohexylethyl)aniline

3-chloro-N-(1-cyclohexylethyl)aniline (PubChem CID 43762066) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclohexylethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(1-cyclohexylethyl)aniline
PubChem CID43762066
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-chloro-N-(1-cyclohexylethyl)aniline
SMILESCC(Nc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H20ClN/c1-11(12-6-3-2-4-7-12)16-14-9-5-8-13(15)10-14/h5,8-12,16H,2-4,6-7H2,1H3
InChIKeyXWRVZPWHYBKHMZ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43755613
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CID 62632471
2-(3-chloroanilino)-2-cyclopentylacetonitrile
CID 62071246
2-(3-chloroanilino)-2-cyclohexylacetamide
CID 54892064
2-(3-chloroanilino)-2-cyclopentylacetic acid
CID 55035047
(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
N-(1-cyclobutylethyl)aniline
CID 58933203
3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
CID 113451928
N-(1-cyclopentylethyl)-3,4-dimethylaniline
CID 62634053
3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline
CID 82864806
N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
CID 60942752

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclohexylethyl)aniline?
The IUPAC name of 3-chloro-N-(1-cyclohexylethyl)aniline (CID 43762066) is 3-chloro-N-(1-cyclohexylethyl)aniline.
What is the SMILES notation for 3-chloro-N-(1-cyclohexylethyl)aniline?
The canonical SMILES for 3-chloro-N-(1-cyclohexylethyl)aniline is CC(Nc1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of 3-chloro-N-(1-cyclohexylethyl)aniline?
The InChIKey is XWRVZPWHYBKHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11(12-6-3-2-4-7-12)16-14-9-5-8-13(15)10-14/h5,8-12,16H,2-4,6-7H2,1H3.
What are the key properties of 3-chloro-N-(1-cyclohexylethyl)aniline?
3-chloro-N-(1-cyclohexylethyl)aniline has a molecular weight of 237.77 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclohexylethyl)aniline is sourced from PubChem (CID 43762066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).