1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine

C13H20ClN — CID 107101962

IUPAC1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1cccc(Cl)c1C
InChIInChI=1S/C13H20ClN/c1-4-7-13(15-5-2)11-8-6-9-12(14)10(11)3/h6,8-9,13,15H,4-5,7H2,1-3H3
InChIKeyBBSXKZBEGYCWCQ-UHFFFAOYSA-N
MW225.76 g/mol
LogP4.10
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine

1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine (PubChem CID 107101962) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine
PubChem CID107101962
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1cccc(Cl)c1C
InChIInChI=1S/C13H20ClN/c1-4-7-13(15-5-2)11-8-6-9-12(14)10(11)3/h6,8-9,13,15H,4-5,7H2,1-3H3
InChIKeyBBSXKZBEGYCWCQ-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1-(3-chloro-2-methylphenyl)-N,3-diethylheptan-1-amine
CID 107102078
1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
CID 114982245
1-(3-chloro-2-methylphenyl)-N-ethylbut-3-en-1-amine
CID 107102109
1-(3-chloro-2-methylphenyl)-N-propylpent-4-yn-1-amine
CID 107102355
1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 107102031
1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107102194
1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
CID 107102165
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107102229
1-(3-chloro-2-methylphenyl)propylhydrazine
CID 107103563
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine (CID 107101962) is 1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine is CCCC(NCC)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine?
The InChIKey is BBSXKZBEGYCWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-4-7-13(15-5-2)11-8-6-9-12(14)10(11)3/h6,8-9,13,15H,4-5,7H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine?
1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 107101962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).