1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride

C18H27Cl2N — CID 21270221

IUPAC1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride
SMILESCN(CC1CCCCC1)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C18H26ClN.ClH/c1-20(14-15-6-3-2-4-7-15)18(12-5-13-18)16-8-10-17(19)11-9-16;/h8-11,15H,2-7,12-14H2,1H3;1H
InChIKeyZKXRROGCTSFLTO-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.65
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride

1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride (PubChem CID 21270221) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride
PubChem CID21270221
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC Name1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride
SMILESCN(CC1CCCCC1)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C18H26ClN.ClH/c1-20(14-15-6-3-2-4-7-15)18(12-5-13-18)16-8-10-17(19)11-9-16;/h8-11,15H,2-7,12-14H2,1H3;1H
InChIKeyZKXRROGCTSFLTO-UHFFFAOYSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-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 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride (CID 21270221) is 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride is CN(CC1CCCCC1)C1(c2ccc(Cl)cc2)CCC1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride?
The InChIKey is ZKXRROGCTSFLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN.ClH/c1-20(14-15-6-3-2-4-7-15)18(12-5-13-18)16-8-10-17(19)11-9-16;/h8-11,15H,2-7,12-14H2,1H3;1H.
What are the key properties of 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride?
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride has a molecular weight of 328.33 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 21270221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).