1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine

C15H24ClN — CID 115837624

IUPAC1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1cc(Cl)ccc1C
InChIInChI=1S/C15H24ClN/c1-4-6-7-8-15(17-5-2)14-11-13(16)10-9-12(14)3/h9-11,15,17H,4-8H2,1-3H3
InChIKeyICSKPWLCZOMOEJ-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.88
Rot. Bonds7

About 1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine

1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine (PubChem CID 115837624) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
PubChem CID115837624
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1cc(Cl)ccc1C
InChIInChI=1S/C15H24ClN/c1-4-6-7-8-15(17-5-2)14-11-13(16)10-9-12(14)3/h9-11,15,17H,4-8H2,1-3H3
InChIKeyICSKPWLCZOMOEJ-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-chloro-2-methylphenyl)-N-ethylhexan-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

1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
CID 115845912
1-(5-chloro-2-methylphenyl)-N-methylnonan-1-amine
CID 115835500
1-(5-chloro-2-methylphenyl)-N-ethylhex-5-en-1-amine
CID 104987125
1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine
CID 114886331
1-(5-chloro-2-methylphenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104992924
1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028577
1-(5-chloro-2-methylphenyl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 115865190
1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 82883080
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
1-(5-chloro-2-methylphenyl)-N-ethylbut-3-yn-1-amine
CID 114977880
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine (CID 115837624) is 1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine is CCCCCC(NCC)c1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine?
The InChIKey is ICSKPWLCZOMOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-6-7-8-15(17-5-2)14-11-13(16)10-9-12(14)3/h9-11,15,17H,4-8H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine?
1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine is sourced from PubChem (CID 115837624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).