3,5-dichloro-N-(2-ethylcyclohexyl)aniline

C14H19Cl2N — CID 55250831

IUPAC3,5-dichloro-N-(2-ethylcyclohexyl)aniline
SMILESCCC1CCCCC1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-2-10-5-3-4-6-14(10)17-13-8-11(15)7-12(16)9-13/h7-10,14,17H,2-6H2,1H3
InChIKeyRPKLWZAOZCQKQZ-UHFFFAOYSA-N
MW272.22 g/mol
LogP5.37
Rot. Bonds3

About 3,5-dichloro-N-(2-ethylcyclohexyl)aniline

3,5-dichloro-N-(2-ethylcyclohexyl)aniline (PubChem CID 55250831) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-ethylcyclohexyl)aniline.

Molecular Properties

Compound Name3,5-dichloro-N-(2-ethylcyclohexyl)aniline
PubChem CID55250831
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name3,5-dichloro-N-(2-ethylcyclohexyl)aniline
SMILESCCC1CCCCC1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-2-10-5-3-4-6-14(10)17-13-8-11(15)7-12(16)9-13/h7-10,14,17H,2-6H2,1H3
InChIKeyRPKLWZAOZCQKQZ-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.22
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-(2-ethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 116698835
N-(2-ethylcyclohexyl)-3,5-dimethylaniline
CID 63863762
2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline
CID 114208972
3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474
2-chloro-4-[(2-ethylcyclohexyl)amino]phenol
CID 107678378
2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942
N-(2-ethylcyclohexyl)-4-propan-2-ylaniline
CID 63862131
4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63863027
N-(2-ethylcyclohexyl)pyridin-4-amine
CID 61469829
3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline
CID 82857766
5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine
CID 80745810
N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline
CID 116698793

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-ethylcyclohexyl)aniline?
The IUPAC name of 3,5-dichloro-N-(2-ethylcyclohexyl)aniline (CID 55250831) is 3,5-dichloro-N-(2-ethylcyclohexyl)aniline.
What is the SMILES notation for 3,5-dichloro-N-(2-ethylcyclohexyl)aniline?
The canonical SMILES for 3,5-dichloro-N-(2-ethylcyclohexyl)aniline is CCC1CCCCC1Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-ethylcyclohexyl)aniline?
The InChIKey is RPKLWZAOZCQKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-2-10-5-3-4-6-14(10)17-13-8-11(15)7-12(16)9-13/h7-10,14,17H,2-6H2,1H3.
What are the key properties of 3,5-dichloro-N-(2-ethylcyclohexyl)aniline?
3,5-dichloro-N-(2-ethylcyclohexyl)aniline has a molecular weight of 272.22 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-ethylcyclohexyl)aniline is sourced from PubChem (CID 55250831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).