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

C17H25Cl2N — CID 24860903

IUPAC1-[1-(3,4-dichlorophenyl)cyclohexyl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C17H25Cl2N/c1-12(2)10-16(20)17(8-4-3-5-9-17)13-6-7-14(18)15(19)11-13/h6-7,11-12,16H,3-5,8-10,20H2,1-2H3
InChIKeyCDXVXAPUCWBZKN-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.57
Rot. Bonds4

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

1-[1-(3,4-dichlorophenyl)cyclohexyl]-3-methylbutan-1-amine (PubChem CID 24860903) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-3-methylbutan-1-amine
PubChem CID24860903
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C17H25Cl2N/c1-12(2)10-16(20)17(8-4-3-5-9-17)13-6-7-14(18)15(19)11-13/h6-7,11-12,16H,3-5,8-10,20H2,1-2H3
InChIKeyCDXVXAPUCWBZKN-UHFFFAOYSA-N
XLogP5.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[1-(3,4-dichlorophenyl)cyclohexyl]-3-methylbutan-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]-3-methylbutan-1-amine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-3-methylbutan-1-amine (CID 24860903) is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-3-methylbutan-1-amine is CC(C)CC(N)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-3-methylbutan-1-amine?
The InChIKey is CDXVXAPUCWBZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-12(2)10-16(20)17(8-4-3-5-9-17)13-6-7-14(18)15(19)11-13/h6-7,11-12,16H,3-5,8-10,20H2,1-2H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-3-methylbutan-1-amine?
1-[1-(3,4-dichlorophenyl)cyclohexyl]-3-methylbutan-1-amine has a molecular weight of 314.30 g/mol, XLogP of 5.57, 4 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]-3-methylbutan-1-amine is sourced from PubChem (CID 24860903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).