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

C15H24ClN — CID 115845717

IUPAC1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H24ClN/c1-5-6-11(2)9-15(17-4)13-8-7-12(3)14(16)10-13/h7-8,10-11,15,17H,5-6,9H2,1-4H3
InChIKeyKHNAENDQZUPCKS-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.74
Rot. Bonds6

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

1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine (PubChem CID 115845717) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine
PubChem CID115845717
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H24ClN/c1-5-6-11(2)9-15(17-4)13-8-7-12(3)14(16)10-13/h7-8,10-11,15,17H,5-6,9H2,1-4H3
InChIKeyKHNAENDQZUPCKS-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 62599815
1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 107562065
1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834684
1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
CID 81492431
1-(3-chloro-4-methylphenyl)-N-methylpent-3-yn-1-amine
CID 115820022
1-(4-bromo-3-fluorophenyl)-N,3-dimethylhexan-1-amine
CID 115845296
[1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine
CID 105298115
1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 43486511
[1-(3-chloro-4-methylphenyl)-5-methylhexyl]hydrazine
CID 105331315
1-(4-chloro-3-methylphenyl)-N-methylpentan-1-amine
CID 115832927
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902
1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine (CID 115845717) is 1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine is CCCC(C)CC(NC)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine?
The InChIKey is KHNAENDQZUPCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-5-6-11(2)9-15(17-4)13-8-7-12(3)14(16)10-13/h7-8,10-11,15,17H,5-6,9H2,1-4H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine?
1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.74, 6 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,3-dimethylhexan-1-amine is sourced from PubChem (CID 115845717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).