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

C15H22Cl3N — CID 53323813

IUPAC1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride
SMILESCNC(C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.Cl
InChIInChI=1S/C15H21Cl2N.ClH/c1-11(18-2)15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12;/h6-7,10-11,18H,3-5,8-9H2,1-2H3;1H
InChIKeyJWGAGXNBADXJOE-UHFFFAOYSA-N
MW322.71 g/mol
LogP5.22
Rot. Bonds3

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

1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride (PubChem CID 53323813) has the molecular formula C15H22Cl3N and a molecular weight of 322.71 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride
PubChem CID53323813
Molecular FormulaC15H22Cl3N
Molecular Weight322.71 g/mol
Exact Mass321.08
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride
SMILESCNC(C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.Cl
InChIInChI=1S/C15H21Cl2N.ClH/c1-11(18-2)15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12;/h6-7,10-11,18H,3-5,8-9H2,1-2H3;1H
InChIKeyJWGAGXNBADXJOE-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.71
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Amitifadine
CID 11658655
3-Azabicyclo(3.1.0)hexane, 1-(3,4-dichlorophenyl)-, hydrochloride
CID 11680542
3,4-Dichlorophenethylamine
CID 217958
1-(3,4-Dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 9795276
Didesmethylsibutramine hydrochloride
CID 134771
3-(3,4-Dichlorophenyl)-2-nortropene
CID 10220657
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
1-(2-(3,4-Dichlorophenyl)ethyl)piperazine
CID 44314387
[2-(3,4-Dichloro-phenyl)-ethyl]-(2-pyrrolidin-1-yl-cyclohexyl)-amine
CID 9905985
1-(1-(3,4-Dichlorophenyl)cyclohexyl)-3-methylbutan-1-amine
CID 24860903
N-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)-N-methylethanamine
CID 53317143
n-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)-n-ethylethanamine
CID 53318434

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride (CID 53323813) is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride is CNC(C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.Cl.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride?
The InChIKey is JWGAGXNBADXJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N.ClH/c1-11(18-2)15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12;/h6-7,10-11,18H,3-5,8-9H2,1-2H3;1H.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride?
1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride has a molecular weight of 322.71 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 53323813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).