1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine

C16H17BrFNO — CID 62602156

IUPAC1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFNO/c1-20-16-5-3-2-4-12(16)9-14(19)8-11-6-7-13(17)10-15(11)18/h2-7,10,14H,8-9,19H2,1H3
InChIKeyAJMMOCXBGICLKP-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.71
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine

1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine (PubChem CID 62602156) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
PubChem CID62602156
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFNO/c1-20-16-5-3-2-4-12(16)9-14(19)8-11-6-7-13(17)10-15(11)18/h2-7,10,14H,8-9,19H2,1H3
InChIKeyAJMMOCXBGICLKP-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261796
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 105137154
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
[1-(4-bromo-2-fluorophenyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105281069
1-[2-(4-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 63815769
2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115844728
1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 63024382
1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
CID 55095032
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 61079999
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine (CID 62602156) is 1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(N)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The InChIKey is AJMMOCXBGICLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-20-16-5-3-2-4-12(16)9-14(19)8-11-6-7-13(17)10-15(11)18/h2-7,10,14H,8-9,19H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine?
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine has a molecular weight of 338.22 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 62602156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).