2-(4-chlorophenyl)-5-methylhexan-1-amine

C13H20ClN — CID 67949275

IUPAC2-(4-chlorophenyl)-5-methylhexan-1-amine
SMILESCC(C)CCC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-10(2)3-4-12(9-15)11-5-7-13(14)8-6-11/h5-8,10,12H,3-4,9,15H2,1-2H3
InChIKeyRKOLWLJUXWSADU-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.82
Rot. Bonds5

About 2-(4-chlorophenyl)-5-methylhexan-1-amine

2-(4-chlorophenyl)-5-methylhexan-1-amine (PubChem CID 67949275) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methylhexan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methylhexan-1-amine
PubChem CID67949275
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name2-(4-chlorophenyl)-5-methylhexan-1-amine
SMILESCC(C)CCC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-10(2)3-4-12(9-15)11-5-7-13(14)8-6-11/h5-8,10,12H,3-4,9,15H2,1-2H3
InChIKeyRKOLWLJUXWSADU-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-5-methylhexan-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

2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304
2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 79441719
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591582
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine
CID 106323760
2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine
CID 10335157
5-(4-chlorophenyl)heptan-2-amine
CID 83931168
(5S)-6-amino-5-(4-chlorophenyl)-2-methylhexan-3-one
CID 159651143
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61429742
2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83169540
2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride
CID 53487609

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methylhexan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-5-methylhexan-1-amine (CID 67949275) is 2-(4-chlorophenyl)-5-methylhexan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methylhexan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-5-methylhexan-1-amine is CC(C)CCC(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methylhexan-1-amine?
The InChIKey is RKOLWLJUXWSADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-10(2)3-4-12(9-15)11-5-7-13(14)8-6-11/h5-8,10,12H,3-4,9,15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-methylhexan-1-amine?
2-(4-chlorophenyl)-5-methylhexan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methylhexan-1-amine is sourced from PubChem (CID 67949275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).