1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine

C17H20BrN — CID 115794186

IUPAC1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H20BrN/c1-13-12-15(9-10-16(13)18)17(19-2)11-8-14-6-4-3-5-7-14/h3-7,9-10,12,17,19H,8,11H2,1-2H3
InChIKeyJIXIELKXRUTKDG-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.65
Rot. Bonds5

About 1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine

1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 115794186) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
PubChem CID115794186
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H20BrN/c1-13-12-15(9-10-16(13)18)17(19-2)11-8-14-6-4-3-5-7-14/h3-7,9-10,12,17,19H,8,11H2,1-2H3
InChIKeyJIXIELKXRUTKDG-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115793778
1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794283
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
CID 115837445
1-(4-bromo-3-methylphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105055012
1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
CID 104986986
1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 107991975
1-(4-bromo-3-methylphenyl)-N-methylbut-3-yn-1-amine
CID 114977657
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine
CID 115794332
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
1-(4-bromo-3-methylphenyl)-2-phenylethanol
CID 81447483

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine (CID 115794186) is 1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is JIXIELKXRUTKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-13-12-15(9-10-16(13)18)17(19-2)11-8-14-6-4-3-5-7-14/h3-7,9-10,12,17,19H,8,11H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine?
1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 318.26 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 115794186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).