1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine

C15H24ClN — CID 113319435

IUPAC1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C15H24ClN/c1-10(2)6-7-15(17-5)13-8-11(3)12(4)9-14(13)16/h8-10,15,17H,6-7H2,1-5H3
InChIKeySEQAPTBGJLOVRS-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.65
Rot. Bonds5

About 1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine

1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine (PubChem CID 113319435) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine
PubChem CID113319435
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C15H24ClN/c1-10(2)6-7-15(17-5)13-8-11(3)12(4)9-14(13)16/h8-10,15,17H,6-7H2,1-5H3
InChIKeySEQAPTBGJLOVRS-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine
CID 62946027
1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol
CID 115484477
1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 79723951
1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834684
1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine
CID 43626705
1-(2-chloro-4,5-dimethylphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115483837
N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 43484222
1-(3-chloro-4-pyridinyl)-N,4-dimethylpentan-1-amine
CID 105127189
1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834345
1-(2-fluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 62790209
1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106857235
1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine
CID 105028716

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine (CID 113319435) is 1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)c1cc(C)c(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine?
The InChIKey is SEQAPTBGJLOVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-10(2)6-7-15(17-5)13-8-11(3)12(4)9-14(13)16/h8-10,15,17H,6-7H2,1-5H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine?
1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 113319435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).