1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride

C9H13BrClNO — CID 122360281

IUPAC1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(C(C)N)c(Br)c1.Cl
InChIInChI=1S/C9H12BrNO.ClH/c1-6(11)8-4-3-7(12-2)5-9(8)10;/h3-6H,11H2,1-2H3;1H
InChIKeyXSPJNVXQPPZCEM-UHFFFAOYSA-N
MW266.57 g/mol
LogP2.90
Rot. Bonds2

About 1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride

1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 122360281) has the molecular formula C9H13BrClNO and a molecular weight of 266.57 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
PubChem CID122360281
Molecular FormulaC9H13BrClNO
Molecular Weight266.57 g/mol
Exact Mass264.99
IUPAC Name1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(C(C)N)c(Br)c1.Cl
InChIInChI=1S/C9H12BrNO.ClH/c1-6(11)8-4-3-7(12-2)5-9(8)10;/h3-6H,11H2,1-2H3;1H
InChIKeyXSPJNVXQPPZCEM-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.57
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride 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

2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine
CID 60786291
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine
CID 114069332
(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
CID 126531407
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941
2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid
CID 82623810
(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine
CID 3340478
(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
CID 55253284
[2-(1-aminoethyl)-5-methoxyphenyl]methanol
CID 130042307
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride (CID 122360281) is 1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride is COc1ccc(C(C)N)c(Br)c1.Cl.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is XSPJNVXQPPZCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO.ClH/c1-6(11)8-4-3-7(12-2)5-9(8)10;/h3-6H,11H2,1-2H3;1H.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride?
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 266.57 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 122360281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).