1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine

C14H22ClN — CID 107102223

IUPAC1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1cccc(Cl)c1C
InChIInChI=1S/C14H22ClN/c1-4-6-10(2)9-14(16)12-7-5-8-13(15)11(12)3/h5,7-8,10,14H,4,6,9,16H2,1-3H3
InChIKeyHFBZRORTVWEZAF-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.47
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine

1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine (PubChem CID 107102223) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine
PubChem CID107102223
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1cccc(Cl)c1C
InChIInChI=1S/C14H22ClN/c1-4-6-10(2)9-14(16)12-7-5-8-13(15)11(12)3/h5,7-8,10,14H,4,6,9,16H2,1-3H3
InChIKeyHFBZRORTVWEZAF-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-methylphenyl)decan-1-amine
CID 107102158
(3S)-3-amino-3-(3-chloro-2-methylphenyl)propan-1-ol
CID 55272388
(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
CID 131080663
1-(3-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 154878722
[1-(2,3-dichlorophenyl)-3-methylhexyl]hydrazine
CID 105298136
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
CID 115845367
1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312388
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine
CID 107101962
1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283025
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine (CID 107102223) is 1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine is CCCC(C)CC(N)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine?
The InChIKey is HFBZRORTVWEZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-4-6-10(2)9-14(16)12-7-5-8-13(15)11(12)3/h5,7-8,10,14H,4,6,9,16H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine?
1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.47, 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)-3-methylhexan-1-amine is sourced from PubChem (CID 107102223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).