(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine

C9H12BrNO — CID 130632981

IUPAC(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine
SMILESCOc1cc(Br)cc([C@@H](C)N)c1
InChIInChI=1S/C9H12BrNO/c1-6(11)7-3-8(10)5-9(4-7)12-2/h3-6H,11H2,1-2H3/t6-/m1/s1
InChIKeyAMLFFJUBVSTMPD-ZCFIWIBFSA-N
MW230.10 g/mol
LogP2.48
Rot. Bonds2

About (1R)-1-(3-bromo-5-methoxyphenyl)ethanamine

(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine (PubChem CID 130632981) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is (1R)-1-(3-bromo-5-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine
PubChem CID130632981
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine
SMILESCOc1cc(Br)cc([C@@H](C)N)c1
InChIInChI=1S/C9H12BrNO/c1-6(11)7-3-8(10)5-9(4-7)12-2/h3-6H,11H2,1-2H3/t6-/m1/s1
InChIKeyAMLFFJUBVSTMPD-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

Analyze (1R)-1-(3-bromo-5-methoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 131283592
1-(3,5-dibromophenyl)ethanamine
CID 23147757
(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride
CID 137347003
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
1-bromo-3-hexan-2-yl-5-methoxybenzene
CID 54002758
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
1-(3-bromophenyl)ethanamine;ethane
CID 142874111

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-5-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(3-bromo-5-methoxyphenyl)ethanamine (CID 130632981) is (1R)-1-(3-bromo-5-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-bromo-5-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-bromo-5-methoxyphenyl)ethanamine is COc1cc(Br)cc([C@@H](C)N)c1.
What is the InChIKey of (1R)-1-(3-bromo-5-methoxyphenyl)ethanamine?
The InChIKey is AMLFFJUBVSTMPD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6(11)7-3-8(10)5-9(4-7)12-2/h3-6H,11H2,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-5-methoxyphenyl)ethanamine?
(1R)-1-(3-bromo-5-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-5-methoxyphenyl)ethanamine is sourced from PubChem (CID 130632981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).