1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine

C16H18BrN — CID 60818684

IUPAC1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1cccc(Br)c1
InChIInChI=1S/C16H18BrN/c1-12-5-3-6-13(9-12)10-16(18-2)14-7-4-8-15(17)11-14/h3-9,11,16,18H,10H2,1-2H3
InChIKeyRFRDSZYUQAUKJC-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.26
Rot. Bonds4

About 1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine

1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine (PubChem CID 60818684) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
PubChem CID60818684
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1cccc(Br)c1
InChIInChI=1S/C16H18BrN/c1-12-5-3-6-13(9-12)10-16(18-2)14-7-4-8-15(17)11-14/h3-9,11,16,18H,10H2,1-2H3
InChIKeyRFRDSZYUQAUKJC-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63412697
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 107945076
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389754
1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine
CID 63412783
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 114602821
3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417287
2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 62516727
N-methyl-1-(3-methylphenyl)-2-pyridin-4-ylethanamine
CID 62550882
N-methyl-1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63413558

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine (CID 60818684) is 1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine is CNC(Cc1cccc(C)c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The InChIKey is RFRDSZYUQAUKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-12-5-3-6-13(9-12)10-16(18-2)14-7-4-8-15(17)11-14/h3-9,11,16,18H,10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine has a molecular weight of 304.23 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 60818684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).