3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol

C16H17F2NO — CID 62629313

IUPAC3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
SMILESCN(CCC(O)c1ccccc1F)c1ccccc1F
InChIInChI=1S/C16H17F2NO/c1-19(15-9-5-4-8-14(15)18)11-10-16(20)12-6-2-3-7-13(12)17/h2-9,16,20H,10-11H2,1H3
InChIKeySWELZIIBGMDDSO-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.52
Rot. Bonds5

About 3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol

3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol (PubChem CID 62629313) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
PubChem CID62629313
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
SMILESCN(CCC(O)c1ccccc1F)c1ccccc1F
InChIInChI=1S/C16H17F2NO/c1-19(15-9-5-4-8-14(15)18)11-10-16(20)12-6-2-3-7-13(12)17/h2-9,16,20H,10-11H2,1H3
InChIKeySWELZIIBGMDDSO-UHFFFAOYSA-N
XLogP3.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
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CID 62630697
3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 62629969
1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol
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CID 67818828
1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 63210835
1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 107487213
1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486832
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 55099405
2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid
CID 55145096
1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743779

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol (CID 62629313) is 3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol is CN(CCC(O)c1ccccc1F)c1ccccc1F.
What is the InChIKey of 3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol?
The InChIKey is SWELZIIBGMDDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-19(15-9-5-4-8-14(15)18)11-10-16(20)12-6-2-3-7-13(12)17/h2-9,16,20H,10-11H2,1H3.
What are the key properties of 3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol?
3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol has a molecular weight of 277.31 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 62629313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).