(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine

C9H12BrNO — CID 7047696

IUPAC(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)N)cc1Br
InChIInChI=1S/C9H12BrNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3/t6-/m1/s1
InChIKeyODYLWSUKSYAEEN-ZCFIWIBFSA-N
MW230.10 g/mol
LogP2.48
Rot. Bonds2

About (1R)-1-(3-bromo-4-methoxyphenyl)ethanamine

(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine (PubChem CID 7047696) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
PubChem CID7047696
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)N)cc1Br
InChIInChI=1S/C9H12BrNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3/t6-/m1/s1
InChIKeyODYLWSUKSYAEEN-ZCFIWIBFSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1-(3-bromo-4-methoxyphenyl)propane-1,2-diamine
CID 131002328
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82307677
(1R)-1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 78937846
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 62911214
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(3-bromo-4-methoxyphenyl)ethanamine (CID 7047696) is (1R)-1-(3-bromo-4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-bromo-4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-bromo-4-methoxyphenyl)ethanamine is COc1ccc([C@@H](C)N)cc1Br.
What is the InChIKey of (1R)-1-(3-bromo-4-methoxyphenyl)ethanamine?
The InChIKey is ODYLWSUKSYAEEN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-4-methoxyphenyl)ethanamine?
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine has a molecular weight of 230.10 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 7047696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).