1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine

C15H24ClN — CID 106858447

IUPAC1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClN/c1-5-12(6-2)10-15(17-4)13-8-7-11(3)9-14(13)16/h7-9,12,15,17H,5-6,10H2,1-4H3
InChIKeyFOROFGCGFWQRAU-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.74
Rot. Bonds6

About 1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine

1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine (PubChem CID 106858447) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine
PubChem CID106858447
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClN/c1-5-12(6-2)10-15(17-4)13-8-7-11(3)9-14(13)16/h7-9,12,15,17H,5-6,10H2,1-4H3
InChIKeyFOROFGCGFWQRAU-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-methylbut-3-yn-1-amine
CID 106856847
1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 63419888
3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 82923277
1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
CID 105028376
2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106858929
1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine
CID 114979523
1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 106857743
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 114894764
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2-chloro-4-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106858171
1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63419886

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine (CID 106858447) is 1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine is CCC(CC)CC(NC)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine?
The InChIKey is FOROFGCGFWQRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-5-12(6-2)10-15(17-4)13-8-7-11(3)9-14(13)16/h7-9,12,15,17H,5-6,10H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine?
1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine is sourced from PubChem (CID 106858447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).