2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline

C14H19Cl2N — CID 43097322

IUPAC2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline
SMILESCC1CCCC(C)C1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2N/c1-9-4-3-5-10(2)14(9)17-13-8-11(15)6-7-12(13)16/h6-10,14,17H,3-5H2,1-2H3
InChIKeyRKWJQGIHFDYROK-UHFFFAOYSA-N
MW272.22 g/mol
LogP5.23
Rot. Bonds2

About 2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline

2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline (PubChem CID 43097322) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline
PubChem CID43097322
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline
SMILESCC1CCCC(C)C1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2N/c1-9-4-3-5-10(2)14(9)17-13-8-11(15)6-7-12(13)16/h6-10,14,17H,3-5H2,1-2H3
InChIKeyRKWJQGIHFDYROK-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.22
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 43102875
2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline
CID 43712363
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
CID 102732904
5-chloro-N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43680892
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol
CID 102730840
4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
CID 43106401
2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427839
N-(2,5-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 19654001
N-(2,6-dimethylcyclohexyl)-2-methylaniline
CID 43107290
N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine
CID 79942146
N-(2,5-dichlorophenyl)oxepan-4-amine
CID 65076765
2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline
CID 107527174

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline?
The IUPAC name of 2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline (CID 43097322) is 2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline is CC1CCCC(C)C1Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline?
The InChIKey is RKWJQGIHFDYROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-9-4-3-5-10(2)14(9)17-13-8-11(15)6-7-12(13)16/h6-10,14,17H,3-5H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline?
2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline has a molecular weight of 272.22 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline is sourced from PubChem (CID 43097322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).