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

C16H17F2NO — CID 115996414

IUPAC1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(N)(c1ccccc1F)c1cccc(OC)c1F
InChIInChI=1S/C16H17F2NO/c1-3-16(19,11-7-4-5-9-13(11)17)12-8-6-10-14(20-2)15(12)18/h4-10H,3,19H2,1-2H3
InChIKeyABVUPZVQMLADNW-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.59
Rot. Bonds4

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

1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine (PubChem CID 115996414) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
PubChem CID115996414
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(N)(c1ccccc1F)c1cccc(OC)c1F
InChIInChI=1S/C16H17F2NO/c1-3-16(19,11-7-4-5-9-13(11)17)12-8-6-10-14(20-2)15(12)18/h4-10H,3,19H2,1-2H3
InChIKeyABVUPZVQMLADNW-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106644707
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115940775
1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 115996402
1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine
CID 104793302
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106761671
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
1-(2-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807426
2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine
CID 82808256
1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996356
3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 82811080
2-(2,3-difluorophenyl)butan-2-amine
CID 63988805
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine (CID 115996414) is 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine is CCC(N)(c1ccccc1F)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is ABVUPZVQMLADNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-3-16(19,11-7-4-5-9-13(11)17)12-8-6-10-14(20-2)15(12)18/h4-10H,3,19H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine?
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 277.31 g/mol, XLogP of 3.59, 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)-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 115996414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).