N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine

C18H28ClN — CID 63431802

IUPACN-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCC(NC1CCC(C(C)C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClN/c1-4-18(15-5-9-16(19)10-6-15)20-17-11-7-14(8-12-17)13(2)3/h5-6,9-10,13-14,17-18,20H,4,7-8,11-12H2,1-3H3
InChIKeyRABXLLMJBOVUND-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.60
Rot. Bonds5

About N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine

N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63431802) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63431802
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCC(NC1CCC(C(C)C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClN/c1-4-18(15-5-9-16(19)10-6-15)20-17-11-7-14(8-12-17)13(2)3/h5-6,9-10,13-14,17-18,20H,4,7-8,11-12H2,1-3H3
InChIKeyRABXLLMJBOVUND-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-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

Related Compounds

N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
N-[1-(4-chlorophenyl)propyl]cycloheptanamine
CID 43109081
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 115576766
N-[1-(4-chlorophenyl)propyl]-1-ethylpiperidin-3-amine
CID 61171924
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine
CID 43103111
N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43434325
N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 86779499
N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine
CID 43223922
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine (CID 63431802) is N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine is CCC(NC1CCC(C(C)C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is RABXLLMJBOVUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-4-18(15-5-9-16(19)10-6-15)20-17-11-7-14(8-12-17)13(2)3/h5-6,9-10,13-14,17-18,20H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine?
N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63431802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).