1-(3-bromo-2-methoxyphenyl)ethanamine

C9H12BrNO — CID 82619023

IUPAC1-(3-bromo-2-methoxyphenyl)ethanamine
SMILESCOc1c(Br)cccc1C(C)N
InChIInChI=1S/C9H12BrNO/c1-6(11)7-4-3-5-8(10)9(7)12-2/h3-6H,11H2,1-2H3
InChIKeyBNKBTDLQIVASDA-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.48
Rot. Bonds2

About 1-(3-bromo-2-methoxyphenyl)ethanamine

1-(3-bromo-2-methoxyphenyl)ethanamine (PubChem CID 82619023) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-(3-bromo-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-methoxyphenyl)ethanamine
PubChem CID82619023
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-(3-bromo-2-methoxyphenyl)ethanamine
SMILESCOc1c(Br)cccc1C(C)N
InChIInChI=1S/C9H12BrNO/c1-6(11)7-4-3-5-8(10)9(7)12-2/h3-6H,11H2,1-2H3
InChIKeyBNKBTDLQIVASDA-UHFFFAOYSA-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 1-(3-bromo-2-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

1-bromo-2-methoxy-3-propan-2-ylbenzene
CID 11333670
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
1-(3-bromo-2-methoxyphenyl)-2-(methylamino)ethanol
CID 82623850
1-[(1S)-1-bromoethyl]-3-[(1R)-1-bromoethyl]-2-methoxybenzene
CID 676972
1-bromo-2-methoxy-3-methylsulfanylbenzene
CID 91880733
1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611
(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine
CID 79403679
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
1-(3-bromo-2-methoxyphenyl)propan-2-ol
CID 83675437
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2-methoxyphenyl)ethanamine (CID 82619023) is 1-(3-bromo-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-methoxyphenyl)ethanamine is COc1c(Br)cccc1C(C)N.
What is the InChIKey of 1-(3-bromo-2-methoxyphenyl)ethanamine?
The InChIKey is BNKBTDLQIVASDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6(11)7-4-3-5-8(10)9(7)12-2/h3-6H,11H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methoxyphenyl)ethanamine?
1-(3-bromo-2-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 1-(3-bromo-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 82619023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).