(1R)-1-(2-bromo-3-methylphenyl)ethanamine

C9H12BrN — CID 96955711

IUPAC(1R)-1-(2-bromo-3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)N)c1Br
InChIInChI=1S/C9H12BrN/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5,7H,11H2,1-2H3/t7-/m1/s1
InChIKeyIOELXIPQDAYPBA-SSDOTTSWSA-N
MW214.11 g/mol
LogP2.78
Rot. Bonds1

About (1R)-1-(2-bromo-3-methylphenyl)ethanamine

(1R)-1-(2-bromo-3-methylphenyl)ethanamine (PubChem CID 96955711) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is (1R)-1-(2-bromo-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-3-methylphenyl)ethanamine
PubChem CID96955711
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name(1R)-1-(2-bromo-3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)N)c1Br
InChIInChI=1S/C9H12BrN/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5,7H,11H2,1-2H3/t7-/m1/s1
InChIKeyIOELXIPQDAYPBA-SSDOTTSWSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 107984716
(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol
CID 130955641
1-(2-bromo-3-methylphenyl)-2-methylbutan-1-amine
CID 107985251
1-[2-bromo-3-(difluoromethyl)phenyl]ethanamine
CID 175189095
2-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 83730937
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-(3-bromo-2,4-dimethylphenyl)ethanamine
CID 84792064
2-(2-bromo-3-methylphenyl)propan-1-ol
CID 117329757
1-(8-methylnaphthalen-1-yl)ethanamine
CID 105441726
1-(2-bromo-3-methylphenyl)but-3-yn-1-amine
CID 107984695
(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
CID 130714890
1-(2-bromo-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 107985156

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-3-methylphenyl)ethanamine?
The IUPAC name of (1R)-1-(2-bromo-3-methylphenyl)ethanamine (CID 96955711) is (1R)-1-(2-bromo-3-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-bromo-3-methylphenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-bromo-3-methylphenyl)ethanamine is Cc1cccc([C@@H](C)N)c1Br.
What is the InChIKey of (1R)-1-(2-bromo-3-methylphenyl)ethanamine?
The InChIKey is IOELXIPQDAYPBA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12BrN/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5,7H,11H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-3-methylphenyl)ethanamine?
(1R)-1-(2-bromo-3-methylphenyl)ethanamine has a molecular weight of 214.11 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-3-methylphenyl)ethanamine is sourced from PubChem (CID 96955711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).