2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine

C15H16BrN — CID 60820005

IUPAC2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrN/c1-11-5-7-13(8-6-11)15(17)10-12-3-2-4-14(16)9-12/h2-9,15H,10,17H2,1H3
InChIKeyVSLHGPABDOFHKJ-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.00
Rot. Bonds3

About 2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine

2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine (PubChem CID 60820005) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
PubChem CID60820005
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrN/c1-11-5-7-13(8-6-11)15(17)10-12-3-2-4-14(16)9-12/h2-9,15H,10,17H2,1H3
InChIKeyVSLHGPABDOFHKJ-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
CID 115354107
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108
1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 113460856
2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54971855
1-(3,5-dibromophenyl)-2-(4-methylphenyl)ethanamine
CID 107973615
2-(3-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanamine
CID 81155733
1-bromo-3-[2-bromo-4-(4-methylphenyl)butyl]benzene
CID 63531591

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine (CID 60820005) is 2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine is Cc1ccc(C(N)Cc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine?
The InChIKey is VSLHGPABDOFHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-11-5-7-13(8-6-11)15(17)10-12-3-2-4-14(16)9-12/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine?
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine has a molecular weight of 290.20 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 60820005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).