2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine

C19H24BrN — CID 63521178

IUPAC2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Br)cc1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H24BrN/c1-14-4-5-17(10-15(14)2)12-18(13-21-3)11-16-6-8-19(20)9-7-16/h4-10,18,21H,11-13H2,1-3H3
InChIKeyGKBFFFFQRIBPTI-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.69
Rot. Bonds6

About 2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine

2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine (PubChem CID 63521178) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine
PubChem CID63521178
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Br)cc1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H24BrN/c1-14-4-5-17(10-15(14)2)12-18(13-21-3)11-16-6-8-19(20)9-7-16/h4-10,18,21H,11-13H2,1-3H3
InChIKeyGKBFFFFQRIBPTI-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromophenyl)methyl]-3-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 63523328
4-[2-(bromomethyl)-3-(4-bromophenyl)propyl]-1,2-dimethylbenzene
CID 66041895
2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine
CID 63522254
2-[(2-bromo-5-fluorophenyl)methyl]-3-(4-bromophenyl)-N-methylpropan-1-amine
CID 63521897
2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
CID 62514878
2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 105374882
2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63522603
2-[(4-bromophenyl)methyl]-N-methylundecan-1-amine
CID 63521360
2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105374875
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
2-[(5-bromo-2-fluorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62515735
2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 62515402

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine (CID 63521178) is 2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Br)cc1)Cc1ccc(C)c(C)c1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine?
The InChIKey is GKBFFFFQRIBPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-14-4-5-17(10-15(14)2)12-18(13-21-3)11-16-6-8-19(20)9-7-16/h4-10,18,21H,11-13H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine?
2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine has a molecular weight of 346.31 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 63521178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).