2-(2-bromo-5-methoxyphenyl)ethanamine

C9H12BrNO — CID 46831332

IUPAC2-(2-bromo-5-methoxyphenyl)ethanamine
SMILESCOc1ccc(Br)c(CCN)c1
InChIInChI=1S/C9H12BrNO/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKeyDKOJHGDTHVOSEO-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.96
Rot. Bonds3

About 2-(2-bromo-5-methoxyphenyl)ethanamine

2-(2-bromo-5-methoxyphenyl)ethanamine (PubChem CID 46831332) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)ethanamine
PubChem CID46831332
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-(2-bromo-5-methoxyphenyl)ethanamine
SMILESCOc1ccc(Br)c(CCN)c1
InChIInChI=1S/C9H12BrNO/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKeyDKOJHGDTHVOSEO-UHFFFAOYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-(2-bromo-5-trimethylsilyloxyphenyl)ethanamine
CID 167730032
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine
CID 66405437
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406254
3-(2-bromo-4-methoxyphenyl)propan-1-amine
CID 82622371
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982978
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
ethyl 3-(2-bromo-5-methoxyphenyl)propanoate
CID 15662339
N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65323346

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)ethanamine (CID 46831332) is 2-(2-bromo-5-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)ethanamine is COc1ccc(Br)c(CCN)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)ethanamine?
The InChIKey is DKOJHGDTHVOSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)ethanamine?
2-(2-bromo-5-methoxyphenyl)ethanamine has a molecular weight of 230.10 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)ethanamine is sourced from PubChem (CID 46831332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).