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

C18H28ClN — CID 63428446

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(Cc1ccc(Cl)cc1)NC1CCC(C(C)C)CC1
InChIInChI=1S/C18H28ClN/c1-13(2)16-6-10-18(11-7-16)20-14(3)12-15-4-8-17(19)9-5-15/h4-5,8-9,13-14,16,18,20H,6-7,10-12H2,1-3H3
InChIKeyMVFQYZVHMIPYNS-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.08
Rot. Bonds5

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

N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63428446) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63428446
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(Cc1ccc(Cl)cc1)NC1CCC(C(C)C)CC1
InChIInChI=1S/C18H28ClN/c1-13(2)16-6-10-18(11-7-16)20-14(3)12-15-4-8-17(19)9-5-15/h4-5,8-9,13-14,16,18,20H,6-7,10-12H2,1-3H3
InChIKeyMVFQYZVHMIPYNS-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-chlorophenyl)propan-2-yl]-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)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677618
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
CID 65091426
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582
N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
CID 82262595
1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine
CID 103779090
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopentanamine
CID 82262639
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63449895
N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 63431802
N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine
CID 79942170
1-(2-bromo-3-cyclopropylbutyl)-4-chlorobenzene
CID 83151006
N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine
CID 103911511

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine (CID 63428446) is N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine is CC(Cc1ccc(Cl)cc1)NC1CCC(C(C)C)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is MVFQYZVHMIPYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-13(2)16-6-10-18(11-7-16)20-14(3)12-15-4-8-17(19)9-5-15/h4-5,8-9,13-14,16,18,20H,6-7,10-12H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine?
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.08, 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)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63428446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).