1-[3-(3-bromophenyl)phenyl]-N-methylethanamine

C15H16BrN — CID 113324687

IUPAC1-[3-(3-bromophenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(-c2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrN/c1-11(17-2)12-5-3-6-13(9-12)14-7-4-8-15(16)10-14/h3-11,17H,1-2H3
InChIKeyPKVUOEHXXXGITL-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.40
Rot. Bonds3

About 1-[3-(3-bromophenyl)phenyl]-N-methylethanamine

1-[3-(3-bromophenyl)phenyl]-N-methylethanamine (PubChem CID 113324687) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 1-[3-(3-bromophenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(3-bromophenyl)phenyl]-N-methylethanamine
PubChem CID113324687
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name1-[3-(3-bromophenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(-c2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrN/c1-11(17-2)12-5-3-6-13(9-12)14-7-4-8-15(16)10-14/h3-11,17H,1-2H3
InChIKeyPKVUOEHXXXGITL-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-bromophenyl)phenyl]-N-methylethanamine
CID 63888721
1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine
CID 113324686
N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
CID 116545342
1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine
CID 61026051
N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]ethanamine
CID 63428245
N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine
CID 63157736
1-[3-[(3-bromophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883448
1-[3-(1,3-benzodioxol-5-yl)phenyl]-N-methylethanamine
CID 82540311
1-bromo-1-(3-bromophenyl)-N-methylmethanamine
CID 116961987
1-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287610
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine
CID 112743237
1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine
CID 107514088

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-(3-bromophenyl)phenyl]-N-methylethanamine (CID 113324687) is 1-[3-(3-bromophenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(3-bromophenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-(3-bromophenyl)phenyl]-N-methylethanamine is CNC(C)c1cccc(-c2cccc(Br)c2)c1.
What is the InChIKey of 1-[3-(3-bromophenyl)phenyl]-N-methylethanamine?
The InChIKey is PKVUOEHXXXGITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-11(17-2)12-5-3-6-13(9-12)14-7-4-8-15(16)10-14/h3-11,17H,1-2H3.
What are the key properties of 1-[3-(3-bromophenyl)phenyl]-N-methylethanamine?
1-[3-(3-bromophenyl)phenyl]-N-methylethanamine has a molecular weight of 290.20 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 113324687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).