1-(3-bromo-4-methylphenyl)propan-2-amine

C10H14BrN — CID 83710327

IUPAC1-(3-bromo-4-methylphenyl)propan-2-amine
SMILESCc1ccc(CC(C)N)cc1Br
InChIInChI=1S/C10H14BrN/c1-7-3-4-9(5-8(2)12)6-10(7)11/h3-4,6,8H,5,12H2,1-2H3
InChIKeyUOWYOXROFCWDHI-UHFFFAOYSA-N
MW228.13 g/mol
LogP2.65
Rot. Bonds2

About 1-(3-bromo-4-methylphenyl)propan-2-amine

1-(3-bromo-4-methylphenyl)propan-2-amine (PubChem CID 83710327) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)propan-2-amine
PubChem CID83710327
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name1-(3-bromo-4-methylphenyl)propan-2-amine
SMILESCc1ccc(CC(C)N)cc1Br
InChIInChI=1S/C10H14BrN/c1-7-3-4-9(5-8(2)12)6-10(7)11/h3-4,6,8H,5,12H2,1-2H3
InChIKeyUOWYOXROFCWDHI-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine
CID 69076107
1-(3-bromo-4,5-dimethylphenyl)propan-2-amine
CID 117356903
(2S)-1-(4-bromo-3-chlorophenyl)propan-2-amine
CID 130730966
1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine
CID 117457500
4-(3-bromo-4-methylphenyl)butan-2-ol
CID 131143359
1-(3,4-dimethylphenyl)propan-2-amine;sulfuric acid
CID 23619205
1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 81473930
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041
4-(3-bromo-4-methylphenyl)-3-chlorobutan-2-one
CID 82054755
3-(3-bromo-4-methylphenyl)-2-chloropropanenitrile
CID 82054686
1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine
CID 80696097
N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114063003

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)propan-2-amine (CID 83710327) is 1-(3-bromo-4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)propan-2-amine is Cc1ccc(CC(C)N)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)propan-2-amine?
The InChIKey is UOWYOXROFCWDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-7-3-4-9(5-8(2)12)6-10(7)11/h3-4,6,8H,5,12H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)propan-2-amine?
1-(3-bromo-4-methylphenyl)propan-2-amine has a molecular weight of 228.13 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)propan-2-amine is sourced from PubChem (CID 83710327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).