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

C14H22ClN — CID 106866597

IUPAC1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine
SMILESCCC(C)(C)C(N)Cc1ccc(C)cc1Cl
InChIInChI=1S/C14H22ClN/c1-5-14(3,4)13(16)9-11-7-6-10(2)8-12(11)15/h6-8,13H,5,9,16H2,1-4H3
InChIKeyTYGQVDFYXLMQCP-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.95
Rot. Bonds4

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

1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine (PubChem CID 106866597) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine
PubChem CID106866597
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine
SMILESCCC(C)(C)C(N)Cc1ccc(C)cc1Cl
InChIInChI=1S/C14H22ClN/c1-5-14(3,4)13(16)9-11-7-6-10(2)8-12(11)15/h6-8,13H,5,9,16H2,1-4H3
InChIKeyTYGQVDFYXLMQCP-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-3,3-dimethylpentan-2-amine
CID 115840191
1-(2-chloro-4-methylphenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 106868427
1-(2-chloro-4-methylphenyl)-3-methylpentane-2,3-diol
CID 106867632
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
CID 106866564
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
1-(2-chloro-4-methylphenyl)butan-2-ylhydrazine
CID 106868414
1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 106868091
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 106867588

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine (CID 106866597) is 1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine is CCC(C)(C)C(N)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine?
The InChIKey is TYGQVDFYXLMQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-5-14(3,4)13(16)9-11-7-6-10(2)8-12(11)15/h6-8,13H,5,9,16H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine?
1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine has a molecular weight of 239.79 g/mol, XLogP of 3.95, 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)-3,3-dimethylpentan-2-amine is sourced from PubChem (CID 106866597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).