1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride

C16H24Cl3N — CID 53326909

IUPAC1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride
SMILESCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.Cl
InChIInChI=1S/C16H23Cl2N.ClH/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13;/h7-8,11-12H,4-6,9-10H2,1-3H3;1H
InChIKeyOTPNHPXNYRVULV-UHFFFAOYSA-N
MW336.73 g/mol
LogP5.57
Rot. Bonds3

About 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride

1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride (PubChem CID 53326909) has the molecular formula C16H24Cl3N and a molecular weight of 336.73 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride
PubChem CID53326909
Molecular FormulaC16H24Cl3N
Molecular Weight336.73 g/mol
Exact Mass335.10
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride
SMILESCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.Cl
InChIInChI=1S/C16H23Cl2N.ClH/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13;/h7-8,11-12H,4-6,9-10H2,1-3H3;1H
InChIKeyOTPNHPXNYRVULV-UHFFFAOYSA-N
XLogP5.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.73
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

Sibutramine
CID 5210
Sibutramine Hydrochloride
CID 64764
N1-(2-(3,4-Dichlorophenyl)ethyl)-N1,N2,N2-trimethyl-1,2-ethanediamine
CID 188914
1-(2-(3,4-Dichlorophenyl)ethyl)-4-methylpiperazine
CID 574780
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine
CID 587944
Lauryldimethyl-3,4-dichlorobenzylammonium chloride
CID 7605
BD 1063 Dihydrochloride
CID 11617161
Meridia
CID 64765
A 31472
CID 3038603
A 23887
CID 3039881
(2-Azepan-1-yl-ethyl)-[2-(3,4-dichloro-phenyl)-ethyl]-methyl-amine
CID 5026275

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride (CID 53326909) is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride is CC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.Cl.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride?
The InChIKey is OTPNHPXNYRVULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N.ClH/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13;/h7-8,11-12H,4-6,9-10H2,1-3H3;1H.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride?
1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride has a molecular weight of 336.73 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 53326909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).