2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine

C17H20BrN — CID 55185855

IUPAC2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H20BrN/c1-12-7-13(2)9-15(8-12)17(19-3)11-14-5-4-6-16(18)10-14/h4-10,17,19H,11H2,1-3H3
InChIKeyOPNODCLEBOSFGR-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.57
Rot. Bonds4

About 2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine

2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine (PubChem CID 55185855) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
PubChem CID55185855
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H20BrN/c1-12-7-13(2)9-15(8-12)17(19-3)11-14-5-4-6-16(18)10-14/h4-10,17,19H,11H2,1-3H3
InChIKeyOPNODCLEBOSFGR-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
1-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954
1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63412697
2-(3-bromo-4-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115818417
2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 62516727
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 107945076
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 63413320
2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 63797942
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417287

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine (CID 55185855) is 2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine is CNC(Cc1cccc(Br)c1)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is OPNODCLEBOSFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-7-13(2)9-15(8-12)17(19-3)11-14-5-4-6-16(18)10-14/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine?
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 318.26 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 55185855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).