(1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine

C10H12BrN — CID 131144021

IUPAC(1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(Br)c(C)c1
InChIInChI=1S/C10H12BrN/c1-3-10(12)8-4-5-9(11)7(2)6-8/h3-6,10H,1,12H2,2H3/t10-/m1/s1
InChIKeyMLHJVLDVTVYOMH-SNVBAGLBSA-N
MW226.12 g/mol
LogP2.94
Rot. Bonds2

About (1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine

(1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine (PubChem CID 131144021) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is (1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine
PubChem CID131144021
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name(1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(Br)c(C)c1
InChIInChI=1S/C10H12BrN/c1-3-10(12)8-4-5-9(11)7(2)6-8/h3-6,10H,1,12H2,2H3/t10-/m1/s1
InChIKeyMLHJVLDVTVYOMH-SNVBAGLBSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-bromo-3-fluorophenyl)prop-2-en-1-amine
CID 130641131
1-(4-bromo-3-fluorophenyl)prop-2-en-1-amine
CID 112693549
1-(4-bromo-3-methylphenyl)hex-5-en-1-amine
CID 104987126
1-(4-bromo-3-methylphenyl)oct-7-en-1-amine
CID 107012120
(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171203845
(2S)-2-amino-2-(4-bromo-3-methylphenyl)acetic acid
CID 95731754
1-(4-bromo-3-methylphenyl)ethylhydrazine
CID 53402303
(1R)-1-(3-bromo-5-methylphenyl)prop-2-en-1-amine
CID 130663763
(1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine
CID 55274807
4-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130618463
(1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171210030
(3R)-3-amino-3-(4-bromo-3-methylphenyl)propanoic acid;hydrochloride
CID 162344228

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine (CID 131144021) is (1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine is C=C[C@@H](N)c1ccc(Br)c(C)c1.
What is the InChIKey of (1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine?
The InChIKey is MLHJVLDVTVYOMH-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12BrN/c1-3-10(12)8-4-5-9(11)7(2)6-8/h3-6,10H,1,12H2,2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine?
(1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine has a molecular weight of 226.12 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 131144021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).