2-chloro-N-(2-ethylcyclohexyl)aniline

C14H20ClN — CID 63863576

IUPAC2-chloro-N-(2-ethylcyclohexyl)aniline
SMILESCCC1CCCCC1Nc1ccccc1Cl
InChIInChI=1S/C14H20ClN/c1-2-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h4,6,8,10-11,13,16H,2-3,5,7,9H2,1H3
InChIKeyYHJYMISFPONPFF-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.72
Rot. Bonds3

About 2-chloro-N-(2-ethylcyclohexyl)aniline

2-chloro-N-(2-ethylcyclohexyl)aniline (PubChem CID 63863576) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylcyclohexyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2-ethylcyclohexyl)aniline
PubChem CID63863576
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-chloro-N-(2-ethylcyclohexyl)aniline
SMILESCCC1CCCCC1Nc1ccccc1Cl
InChIInChI=1S/C14H20ClN/c1-2-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h4,6,8,10-11,13,16H,2-3,5,7,9H2,1H3
InChIKeyYHJYMISFPONPFF-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

2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942
2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline
CID 63861238
N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline
CID 113483352
N-(2-ethylcyclohexyl)-2-propylsulfonylaniline
CID 61470216
trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
CID 93345869
3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474
tert-butyl N-[[2-(2-chloroanilino)cyclopentyl]methyl]carbamate
CID 103695578
3,5-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55250831
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
2-chloro-4-[(2-ethylcyclohexyl)amino]phenol
CID 107678378
N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline
CID 63541805
N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine
CID 113224726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylcyclohexyl)aniline?
The IUPAC name of 2-chloro-N-(2-ethylcyclohexyl)aniline (CID 63863576) is 2-chloro-N-(2-ethylcyclohexyl)aniline.
What is the SMILES notation for 2-chloro-N-(2-ethylcyclohexyl)aniline?
The canonical SMILES for 2-chloro-N-(2-ethylcyclohexyl)aniline is CCC1CCCCC1Nc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethylcyclohexyl)aniline?
The InChIKey is YHJYMISFPONPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-2-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h4,6,8,10-11,13,16H,2-3,5,7,9H2,1H3.
What are the key properties of 2-chloro-N-(2-ethylcyclohexyl)aniline?
2-chloro-N-(2-ethylcyclohexyl)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 2-chloro-N-(2-ethylcyclohexyl)aniline is sourced from PubChem (CID 63863576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).