2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine

C17H20BrN — CID 63413113

IUPAC2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H20BrN/c1-12-8-13(2)10-15(9-12)17(19-3)11-14-4-6-16(18)7-5-14/h4-10,17,19H,11H2,1-3H3
InChIKeyYPOULGGLGRHYDO-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.57
Rot. Bonds4

About 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine

2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine (PubChem CID 63413113) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
PubChem CID63413113
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H20BrN/c1-12-8-13(2)10-15(9-12)17(19-3)11-14-4-6-16(18)7-5-14/h4-10,17,19H,11H2,1-3H3
InChIKeyYPOULGGLGRHYDO-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-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
2-(3-bromo-4-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115818417
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114330447
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 66056292
2-(4-bromophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 63526519
1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 81112448
1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107974526
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61065671
2-(4-bromophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799436
1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 63526721

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine (CID 63413113) is 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is YPOULGGLGRHYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-8-13(2)10-15(9-12)17(19-3)11-14-4-6-16(18)7-5-14/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine?
2-(4-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-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 63413113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).