3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride

C17H27Cl2N — CID 3044147

IUPAC3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCc1ccc(C2CCCCC2)c(Cl)c1.Cl
InChIInChI=1S/C17H26ClN.ClH/c1-19(2)12-6-7-14-10-11-16(17(18)13-14)15-8-4-3-5-9-15;/h10-11,13,15H,3-9,12H2,1-2H3;1H
InChIKeyRPVREOWBBJEXQG-UHFFFAOYSA-N
MW316.32 g/mol
LogP5.30
Rot. Bonds5

About 3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride

3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 3044147) has the molecular formula C17H27Cl2N and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID3044147
Molecular FormulaC17H27Cl2N
Molecular Weight316.32 g/mol
Exact Mass315.15
IUPAC Name3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCc1ccc(C2CCCCC2)c(Cl)c1.Cl
InChIInChI=1S/C17H26ClN.ClH/c1-19(2)12-6-7-14-10-11-16(17(18)13-14)15-8-4-3-5-9-15;/h10-11,13,15H,3-9,12H2,1-2H3;1H
InChIKeyRPVREOWBBJEXQG-UHFFFAOYSA-N
XLogP5.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.32
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride (CID 3044147) is 3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCCc1ccc(C2CCCCC2)c(Cl)c1.Cl.
What is the InChIKey of 3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is RPVREOWBBJEXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN.ClH/c1-19(2)12-6-7-14-10-11-16(17(18)13-14)15-8-4-3-5-9-15;/h10-11,13,15H,3-9,12H2,1-2H3;1H.
What are the key properties of 3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride?
3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 316.32 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 3044147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).