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

C14H22ClN — CID 106864909

IUPAC1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(CCc1ccc(C)cc1Cl)C(C)C
InChIInChI=1S/C14H22ClN/c1-10(2)14(16-4)8-7-12-6-5-11(3)9-13(12)15/h5-6,9-10,14,16H,7-8H2,1-4H3
InChIKeyOGDNRVCRAGXWHI-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.83
Rot. Bonds5

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

1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine (PubChem CID 106864909) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine
PubChem CID106864909
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(CCc1ccc(C)cc1Cl)C(C)C
InChIInChI=1S/C14H22ClN/c1-10(2)14(16-4)8-7-12-6-5-11(3)9-13(12)15/h5-6,9-10,14,16H,7-8H2,1-4H3
InChIKeyOGDNRVCRAGXWHI-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 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 ≤ 53.83
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
1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine
CID 55041605
1-(2-chloro-4-methylphenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 106867579
1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
CID 106866712
1-(2-chloro-4-methylphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 106864903
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986
1-(4-bromo-3-chloro-2-fluorophenyl)-N,4-dimethylpentan-3-amine
CID 106763451
1-(2-chloro-4-methylphenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 106868825
N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine
CID 102837787
2-chloro-1-(3-chloropropyl)-4-methylbenzene
CID 106869679
1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 106865944
4-[(2-chloro-4-methylphenyl)methylamino]butan-2-ol
CID 106862742

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine (CID 106864909) is 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine is CNC(CCc1ccc(C)cc1Cl)C(C)C.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine?
The InChIKey is OGDNRVCRAGXWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-10(2)14(16-4)8-7-12-6-5-11(3)9-13(12)15/h5-6,9-10,14,16H,7-8H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine?
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine has a molecular weight of 239.79 g/mol, XLogP of 3.83, 5 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)-N,4-dimethylpentan-3-amine is sourced from PubChem (CID 106864909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).