1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol

C13H20FNO3 — CID 63372729

IUPAC1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C13H20FNO3/c1-9(16)12-6-10(14)4-5-13(12)15(2)7-11(17)8-18-3/h4-6,9,11,16-17H,7-8H2,1-3H3/t9-,11?/m1/s1
InChIKeyQKRSQJHZQJQDCF-BFHBGLAWSA-N
MW257.30 g/mol
LogP1.32
Rot. Bonds6

About 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol

1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol (PubChem CID 63372729) has the molecular formula C13H20FNO3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol
PubChem CID63372729
Molecular FormulaC13H20FNO3
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C13H20FNO3/c1-9(16)12-6-10(14)4-5-13(12)15(2)7-11(17)8-18-3/h4-6,9,11,16-17H,7-8H2,1-3H3/t9-,11?/m1/s1
InChIKeyQKRSQJHZQJQDCF-BFHBGLAWSA-N
XLogP1.32
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol
CID 55010825
(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
CID 78940044
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
CID 55184479
(1R)-1-[5-fluoro-2-[methyl-[(4-methylphenyl)methyl]amino]phenyl]ethanol
CID 63370651
(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63966843
(1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 63371131
1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
CID 61426540
1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 3786729
(1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol
CID 78940852
1-[2-chloro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]-3-methoxypropan-2-ol
CID 81143872

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol (CID 63372729) is 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1ccc(F)cc1[C@@H](C)O.
What is the InChIKey of 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol?
The InChIKey is QKRSQJHZQJQDCF-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-9(16)12-6-10(14)4-5-13(12)15(2)7-11(17)8-18-3/h4-6,9,11,16-17H,7-8H2,1-3H3/t9-,11?/m1/s1.
What are the key properties of 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol?
1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol has a molecular weight of 257.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol is sourced from PubChem (CID 63372729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).