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

C14H22ClN — CID 115834684

IUPAC1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H22ClN/c1-10(2)5-8-14(16-4)12-7-6-11(3)13(15)9-12/h6-7,9-10,14,16H,5,8H2,1-4H3
InChIKeySDCRPGZLEXWJTE-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.35
Rot. Bonds5

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

1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine (PubChem CID 115834684) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine
PubChem CID115834684
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H22ClN/c1-10(2)5-8-14(16-4)12-7-6-11(3)13(15)9-12/h6-7,9-10,14,16H,5,8H2,1-4H3
InChIKeySDCRPGZLEXWJTE-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-chloro-4-methylphenyl)-5-methylhexyl]hydrazine
CID 105331315
1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 115845717
1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 107562065
1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine
CID 105028693
1-(3-chloro-4-methylphenyl)-N-methylpent-3-yn-1-amine
CID 115820022
1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine
CID 113319435
1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397
1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
CID 115842241
1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 43486511
1-(3,4-dichlorophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949498
1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 63195375
1-(4-iodophenyl)-N,4-dimethylpentan-1-amine
CID 115834286

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine (CID 115834684) is 1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine?
The InChIKey is SDCRPGZLEXWJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-10(2)5-8-14(16-4)12-7-6-11(3)13(15)9-12/h6-7,9-10,14,16H,5,8H2,1-4H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine?
1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 115834684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).