1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine

C14H19Cl2N — CID 64733390

IUPAC1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N)(c2cccc(Cl)c2Cl)CC1C
InChIInChI=1S/C14H19Cl2N/c1-9-6-7-14(17,8-10(9)2)11-4-3-5-12(15)13(11)16/h3-5,9-10H,6-8,17H2,1-2H3
InChIKeyUNERQARSSSNQKM-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.60
Rot. Bonds1

About 1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine

1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine (PubChem CID 64733390) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine
PubChem CID64733390
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N)(c2cccc(Cl)c2Cl)CC1C
InChIInChI=1S/C14H19Cl2N/c1-9-6-7-14(17,8-10(9)2)11-4-3-5-12(15)13(11)16/h3-5,9-10H,6-8,17H2,1-2H3
InChIKeyUNERQARSSSNQKM-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine
CID 62788342
1-(2,3-dichlorophenyl)cyclopentan-1-amine
CID 62788667
1-(2-chlorophenyl)-3-methylcyclohexan-1-amine
CID 61029803
1-(2-chlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514342
1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine
CID 64733935
1-(2-chlorophenyl)-2-methylcyclobutan-1-amine
CID 66431566
1-(3-bromo-2,4-dimethoxyphenyl)-3,4-dimethylcyclohexan-1-amine
CID 103523023
6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
CID 177304851
(1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 25132531
3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64733945
1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine
CID 64761387
1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine
CID 117327946

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine (CID 64733390) is 1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine is CC1CCC(N)(c2cccc(Cl)c2Cl)CC1C.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine?
The InChIKey is UNERQARSSSNQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-9-6-7-14(17,8-10(9)2)11-4-3-5-12(15)13(11)16/h3-5,9-10H,6-8,17H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine?
1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64733390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).