2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine

C15H16BrNO — CID 141163384

IUPAC2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c1-18-15-10-11(8-9-17)2-7-14(15)12-3-5-13(16)6-4-12/h2-7,10H,8-9,17H2,1H3
InChIKeySGBYZNJXJJUSCH-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.63
Rot. Bonds4

About 2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine

2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine (PubChem CID 141163384) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine
PubChem CID141163384
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c1-18-15-10-11(8-9-17)2-7-14(15)12-3-5-13(16)6-4-12/h2-7,10H,8-9,17H2,1H3
InChIKeySGBYZNJXJJUSCH-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine
CID 115052687
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
CID 82039666
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118
2-[3-(3,4-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82107025
1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
CID 83666215
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60906008
2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
CID 82038802
2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82120363

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine?
The IUPAC name of 2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine (CID 141163384) is 2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine is COc1cc(CCN)ccc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine?
The InChIKey is SGBYZNJXJJUSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-18-15-10-11(8-9-17)2-7-14(15)12-3-5-13(16)6-4-12/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine?
2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine has a molecular weight of 306.20 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 141163384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).