3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine

C17H20BrN — CID 79417287

IUPAC3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cccc(Br)c1)c1cccc(C)c1
InChIInChI=1S/C17H20BrN/c1-13-5-3-7-15(9-13)16(12-19-2)10-14-6-4-8-17(18)11-14/h3-9,11,16,19H,10,12H2,1-2H3
InChIKeyHVMXZMKHTMOFSA-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.30
Rot. Bonds5

About 3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine

3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine (PubChem CID 79417287) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
PubChem CID79417287
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cccc(Br)c1)c1cccc(C)c1
InChIInChI=1S/C17H20BrN/c1-13-5-3-7-15(9-13)16(12-19-2)10-14-6-4-8-17(18)11-14/h3-9,11,16,19H,10,12H2,1-2H3
InChIKeyHVMXZMKHTMOFSA-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443421
3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416745
N-methyl-2-(3-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323720
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine
CID 79417284

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine (CID 79417287) is 3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine is CNCC(Cc1cccc(Br)c1)c1cccc(C)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine?
The InChIKey is HVMXZMKHTMOFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-13-5-3-7-15(9-13)16(12-19-2)10-14-6-4-8-17(18)11-14/h3-9,11,16,19H,10,12H2,1-2H3.
What are the key properties of 3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine?
3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine has a molecular weight of 318.26 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79417287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).