1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine

C14H22ClN — CID 106866564

IUPAC1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
SMILESCc1ccc(CC(N)C(C)C(C)C)c(Cl)c1
InChIInChI=1S/C14H22ClN/c1-9(2)11(4)14(16)8-12-6-5-10(3)7-13(12)15/h5-7,9,11,14H,8,16H2,1-4H3
InChIKeyKKSMLTNCNIZGSX-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.81
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine

1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine (PubChem CID 106866564) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
PubChem CID106866564
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
SMILESCc1ccc(CC(N)C(C)C(C)C)c(Cl)c1
InChIInChI=1S/C14H22ClN/c1-9(2)11(4)14(16)8-12-6-5-10(3)7-13(12)15/h5-7,9,11,14H,8,16H2,1-4H3
InChIKeyKKSMLTNCNIZGSX-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-4-methylpentan-3-amine
CID 106864879
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine
CID 106867926
1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine
CID 106868787
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 106868091
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine
CID 106866597
2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine (CID 106866564) is 1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine is Cc1ccc(CC(N)C(C)C(C)C)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine?
The InChIKey is KKSMLTNCNIZGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-9(2)11(4)14(16)8-12-6-5-10(3)7-13(12)15/h5-7,9,11,14H,8,16H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine?
1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine has a molecular weight of 239.79 g/mol, XLogP of 3.81, 4 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)-3,4-dimethylpentan-2-amine is sourced from PubChem (CID 106866564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).