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

C17H20BrN — CID 63412697

IUPAC1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrN/c1-12-7-8-14(9-13(12)2)10-17(19-3)15-5-4-6-16(18)11-15/h4-9,11,17,19H,10H2,1-3H3
InChIKeyCMBPIGDOKTYACI-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.57
Rot. Bonds4

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

1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine (PubChem CID 63412697) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
PubChem CID63412697
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrN/c1-12-7-8-14(9-13(12)2)10-17(19-3)15-5-4-6-16(18)11-15/h4-9,11,17,19H,10H2,1-3H3
InChIKeyCMBPIGDOKTYACI-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
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine
CID 63412783
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63414512
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63507191
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 63416604
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61065671
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
1-(3,4-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549735

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine (CID 63412697) is 1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine is CNC(Cc1ccc(C)c(C)c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is CMBPIGDOKTYACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-7-8-14(9-13(12)2)10-17(19-3)15-5-4-6-16(18)11-15/h4-9,11,17,19H,10H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
1-(3-bromophenyl)-2-(3,4-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 1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 63412697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).