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

C15H16BrN — CID 115052687

IUPAC2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine
SMILESCc1ccc(CCN)cc1-c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN/c1-11-2-3-12(8-9-17)10-15(11)13-4-6-14(16)7-5-13/h2-7,10H,8-9,17H2,1H3
InChIKeyIGXMPWKRVSZAQO-UHFFFAOYSA-N
MW290.20 g/mol
LogP3.93
Rot. Bonds3

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

2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine (PubChem CID 115052687) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine
PubChem CID115052687
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine
SMILESCc1ccc(CCN)cc1-c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN/c1-11-2-3-12(8-9-17)10-15(11)13-4-6-14(16)7-5-13/h2-7,10H,8-9,17H2,1H3
InChIKeyIGXMPWKRVSZAQO-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine
CID 141163384
2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine
CID 115045738
2-[5-(2-aminoethyl)-2-methylphenyl]phenol
CID 115036237
2-[3-(3,4-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82107025
4-[5-(aminomethyl)-2-methylphenyl]phenol
CID 82508624
[4-methyl-3-(4-phenylphenyl)phenyl]methanamine
CID 105408962
5-(2-aminoethyl)-2-methylaniline
CID 58409288
[4-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 61026392
2-[4-(3-chloro-4-methylphenyl)phenyl]ethanamine
CID 110282226
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
4-(2-aminoethyl)-N,N,2-trimethylaniline
CID 18543495

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine?
The IUPAC name of 2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine (CID 115052687) is 2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine.
What is the SMILES notation for 2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine?
The canonical SMILES for 2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine is Cc1ccc(CCN)cc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine?
The InChIKey is IGXMPWKRVSZAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-11-2-3-12(8-9-17)10-15(11)13-4-6-14(16)7-5-13/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine?
2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine has a molecular weight of 290.20 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine is sourced from PubChem (CID 115052687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).