1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine

C18H27Cl2N — CID 53321125

IUPAC1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C18H27Cl2N/c1-13(2)11-17(21-3)18(9-5-4-6-10-18)14-7-8-15(19)16(20)12-14/h7-8,12-13,17,21H,4-6,9-11H2,1-3H3
InChIKeyPOKCWLLPLOIIOW-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.83
Rot. Bonds5

About 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine

1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine (PubChem CID 53321125) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine
PubChem CID53321125
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C18H27Cl2N/c1-13(2)11-17(21-3)18(9-5-4-6-10-18)14-7-8-15(19)16(20)12-14/h7-8,12-13,17,21H,4-6,9-11H2,1-3H3
InChIKeyPOKCWLLPLOIIOW-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine 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-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine (CID 53321125) is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine is CNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine?
The InChIKey is POKCWLLPLOIIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-13(2)11-17(21-3)18(9-5-4-6-10-18)14-7-8-15(19)16(20)12-14/h7-8,12-13,17,21H,4-6,9-11H2,1-3H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine?
1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine has a molecular weight of 328.33 g/mol, XLogP of 5.83, 5 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,3-dimethylbutan-1-amine is sourced from PubChem (CID 53321125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).