1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine

C16H17F2NO — CID 104793302

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine
SMILESCOc1cccc(CC(C)(N)c2ccccc2F)c1F
InChIInChI=1S/C16H17F2NO/c1-16(19,12-7-3-4-8-13(12)17)10-11-6-5-9-14(20-2)15(11)18/h3-9H,10,19H2,1-2H3
InChIKeyOTUCPICSOOMWFF-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.39
Rot. Bonds4

About 1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine

1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine (PubChem CID 104793302) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine
PubChem CID104793302
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine
SMILESCOc1cccc(CC(C)(N)c2ccccc2F)c1F
InChIInChI=1S/C16H17F2NO/c1-16(19,12-7-3-4-8-13(12)17)10-11-6-5-9-14(20-2)15(11)18/h3-9H,10,19H2,1-2H3
InChIKeyOTUCPICSOOMWFF-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine
CID 62622550
1-(2,3-difluorophenyl)-2-(2-methoxyphenyl)propan-2-ol
CID 65144915
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
CID 115996414
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 62197982
1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 104793318
1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine
CID 113453716
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 105402991
2-(2-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 54919515
2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine
CID 82808256
3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 104794636
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
CID 113453864

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine (CID 104793302) is 1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine is COc1cccc(CC(C)(N)c2ccccc2F)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine?
The InChIKey is OTUCPICSOOMWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-16(19,12-7-3-4-8-13(12)17)10-11-6-5-9-14(20-2)15(11)18/h3-9H,10,19H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine?
1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine has a molecular weight of 277.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 104793302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).