3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline

C15H22ClN — CID 63862474

IUPAC3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
SMILESCCC1CCCCC1Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H22ClN/c1-3-12-6-4-5-7-15(12)17-13-9-8-11(2)14(16)10-13/h8-10,12,15,17H,3-7H2,1-2H3
InChIKeyKVJWRNVUZLKCJY-UHFFFAOYSA-N
MW251.80 g/mol
LogP5.03
Rot. Bonds3

About 3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline

3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline (PubChem CID 63862474) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
PubChem CID63862474
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
SMILESCCC1CCCCC1Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H22ClN/c1-3-12-6-4-5-7-15(12)17-13-9-8-11(2)14(16)10-13/h8-10,12,15,17H,3-7H2,1-2H3
InChIKeyKVJWRNVUZLKCJY-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.80
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-[(2-ethylcyclohexyl)amino]phenol
CID 107678378
4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63863027
4-[(2-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81281868
3,5-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55250831
N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline
CID 113483426
N-(2-ethylcyclohexyl)-3,5-dimethylaniline
CID 63863762
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
N-(2-ethylcyclohexyl)-4-propan-2-ylaniline
CID 63862131
2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942
2-chloro-N-(2-ethylcyclohexyl)aniline
CID 63863576
3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline
CID 64502448
N-(2-ethylcyclohexyl)pyridin-4-amine
CID 61469829

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline?
The IUPAC name of 3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline (CID 63862474) is 3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline.
What is the SMILES notation for 3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline?
The canonical SMILES for 3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline is CCC1CCCCC1Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline?
The InChIKey is KVJWRNVUZLKCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-12-6-4-5-7-15(12)17-13-9-8-11(2)14(16)10-13/h8-10,12,15,17H,3-7H2,1-2H3.
What are the key properties of 3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline?
3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline has a molecular weight of 251.80 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline is sourced from PubChem (CID 63862474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).