2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine

C16H18BrNO — CID 79443596

IUPAC2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1CC(CN)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-19-16-8-3-2-5-13(16)9-14(11-18)12-6-4-7-15(17)10-12/h2-8,10,14H,9,11,18H2,1H3
InChIKeyDJOZEJZWTDZYBK-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.74
Rot. Bonds5

About 2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine

2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine (PubChem CID 79443596) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
PubChem CID79443596
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1CC(CN)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-19-16-8-3-2-5-13(16)9-14(11-18)12-6-4-7-15(17)10-12/h2-8,10,14H,9,11,18H2,1H3
InChIKeyDJOZEJZWTDZYBK-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

1-bromo-3-[1-bromo-3-(2-methoxyphenyl)propan-2-yl]benzene
CID 79431763
2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine
CID 79442687
1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
CID 55225417
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine
CID 79442545
1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261796
1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene
CID 79417395
3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 112538811
2-(3-bromophenyl)-5-methoxypentan-1-amine
CID 79442544
1-bromo-4-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]benzene
CID 79434338
1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 23647926
4-(2-methoxyphenyl)-2-phenylbutan-1-amine
CID 81010261

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine (CID 79443596) is 2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine is COc1ccccc1CC(CN)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine?
The InChIKey is DJOZEJZWTDZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-19-16-8-3-2-5-13(16)9-14(11-18)12-6-4-7-15(17)10-12/h2-8,10,14H,9,11,18H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine?
2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-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-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 79443596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).