2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine

C16H18BrNO — CID 155432883

IUPAC2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine
SMILESCOc1cc(C(CN)Cc2ccccc2)ccc1Br
InChIInChI=1S/C16H18BrNO/c1-19-16-10-13(7-8-15(16)17)14(11-18)9-12-5-3-2-4-6-12/h2-8,10,14H,9,11,18H2,1H3
InChIKeyDPNVXUXCGWUJBE-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.74
Rot. Bonds5

About 2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine

2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine (PubChem CID 155432883) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine
PubChem CID155432883
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine
SMILESCOc1cc(C(CN)Cc2ccccc2)ccc1Br
InChIInChI=1S/C16H18BrNO/c1-19-16-10-13(7-8-15(16)17)14(11-18)9-12-5-3-2-4-6-12/h2-8,10,14H,9,11,18H2,1H3
InChIKeyDPNVXUXCGWUJBE-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79438085
3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
CID 82141792
2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973647
2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
CID 79443596
2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol
CID 82160813
3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656
2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83972725
3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine
CID 82139388
1-bromo-4-butan-2-yl-2-methoxybenzene;ethane
CID 166461083
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-bromophenol
CID 83972592
2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861
3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973653

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine?
The IUPAC name of 2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine (CID 155432883) is 2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine.
What is the SMILES notation for 2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine?
The canonical SMILES for 2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine is COc1cc(C(CN)Cc2ccccc2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine?
The InChIKey is DPNVXUXCGWUJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-19-16-10-13(7-8-15(16)17)14(11-18)9-12-5-3-2-4-6-12/h2-8,10,14H,9,11,18H2,1H3.
What are the key properties of 2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine?
2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 155432883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).