1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine

C15H24BrN — CID 115832820

IUPAC1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccc(Br)cc1C
InChIInChI=1S/C15H24BrN/c1-4-6-7-15(17-10-5-2)14-9-8-13(16)11-12(14)3/h8-9,11,15,17H,4-7,10H2,1-3H3
InChIKeyMWIDGOVIWAJUJT-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.99
Rot. Bonds7

About 1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine

1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine (PubChem CID 115832820) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine
PubChem CID115832820
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccc(Br)cc1C
InChIInChI=1S/C15H24BrN/c1-4-6-7-15(17-10-5-2)14-9-8-13(16)11-12(14)3/h8-9,11,15,17H,4-7,10H2,1-3H3
InChIKeyMWIDGOVIWAJUJT-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024035
1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039445
1-(2,4-dibromophenyl)-N-propylheptan-1-amine
CID 107945392
1-(4-bromo-2-methylphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993197
1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine
CID 115831324
N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63526553
1-(4-bromo-2-methylphenyl)octylhydrazine
CID 105293450
1-(4-bromo-2-methylphenyl)undecylhydrazine
CID 105298297
1-(4-fluoro-2-methylphenyl)-N-propyloctan-1-amine
CID 81276836
N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029326
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
1-(4-bromo-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 114013519

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine (CID 115832820) is 1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine is CCCCC(NCCC)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine?
The InChIKey is MWIDGOVIWAJUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-4-6-7-15(17-10-5-2)14-9-8-13(16)11-12(14)3/h8-9,11,15,17H,4-7,10H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine?
1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 115832820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).