1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine

C15H24BrN — CID 105017274

IUPAC1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(Br)ccc1C)C(C)CC
InChIInChI=1S/C15H24BrN/c1-5-9-17-15(11(3)6-2)14-10-13(16)8-7-12(14)4/h7-8,10-11,15,17H,5-6,9H2,1-4H3
InChIKeyGAKKSLMQUFXJNG-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.84
Rot. Bonds6

About 1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine

1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine (PubChem CID 105017274) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine
PubChem CID105017274
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(Br)ccc1C)C(C)CC
InChIInChI=1S/C15H24BrN/c1-5-9-17-15(11(3)6-2)14-10-13(16)8-7-12(14)4/h7-8,10-11,15,17H,5-6,9H2,1-4H3
InChIKeyGAKKSLMQUFXJNG-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 114013519
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792512
[1-(4-bromo-2-methylphenyl)-2-methylbutyl]hydrazine
CID 105325669
1-(2-bromo-3,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 107539437
N-[(5-bromo-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104988636
N-[(5-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79723126
1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114906702
N-[(5-bromo-2-methylphenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397007
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107893458
N-[(5-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 65307696
N-[(5-bromo-2-fluorophenyl)-(4-bromo-2-methylphenyl)methyl]propan-1-amine
CID 105011819

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine (CID 105017274) is 1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine is CCCNC(c1cc(Br)ccc1C)C(C)CC.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is GAKKSLMQUFXJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-5-9-17-15(11(3)6-2)14-10-13(16)8-7-12(14)4/h7-8,10-11,15,17H,5-6,9H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine?
1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105017274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).