2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine

C17H19BrFNO — CID 104794735

IUPAC2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cccc(OC)c1F)c1ccccc1Br
InChIInChI=1S/C17H19BrFNO/c1-20-11-13(14-7-3-4-8-15(14)18)10-12-6-5-9-16(21-2)17(12)19/h3-9,13,20H,10-11H2,1-2H3
InChIKeyIZRKDESBZQKBFU-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.14
Rot. Bonds6

About 2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine

2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 104794735) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID104794735
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cccc(OC)c1F)c1ccccc1Br
InChIInChI=1S/C17H19BrFNO/c1-20-11-13(14-7-3-4-8-15(14)18)10-12-6-5-9-16(21-2)17(12)19/h3-9,13,20H,10-11H2,1-2H3
InChIKeyIZRKDESBZQKBFU-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 104794718
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine
CID 79448852
3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106647002
1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035605
3-(2,3-difluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439526
1-[3-bromo-2-(2-chlorophenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795547
2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 114858886
1-[3-chloro-2-(2-fluorophenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795544
2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 79441963
3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 79421092
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine (CID 104794735) is 2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine is CNCC(Cc1cccc(OC)c1F)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is IZRKDESBZQKBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-20-11-13(14-7-3-4-8-15(14)18)10-12-6-5-9-16(21-2)17(12)19/h3-9,13,20H,10-11H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine?
2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 352.25 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 104794735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).