1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol

C11H16FNO3 — CID 63929657

IUPAC1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccc(F)cc1OC
InChIInChI=1S/C11H16FNO3/c1-15-7-9(14)6-13-10-4-3-8(12)5-11(10)16-2/h3-5,9,13-14H,6-7H2,1-2H3
InChIKeyHXOZVEKCXLKKNZ-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.25
Rot. Bonds6

About 1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol

1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol (PubChem CID 63929657) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol
PubChem CID63929657
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccc(F)cc1OC
InChIInChI=1S/C11H16FNO3/c1-15-7-9(14)6-13-10-4-3-8(12)5-11(10)16-2/h3-5,9,13-14H,6-7H2,1-2H3
InChIKeyHXOZVEKCXLKKNZ-UHFFFAOYSA-N
XLogP1.25
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
CID 103245523
1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929656
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
methyl 2-acetamido-3-(4-fluoro-2-methoxyanilino)propanoate
CID 103245525
1-[(6-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394039
1-(2-fluoro-5-methoxy-4-nitroanilino)-3-methoxypropan-2-ol
CID 103867519
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 54968324
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
5-fluoro-2-[(3-hydroxy-4-methoxybutyl)amino]benzoic acid
CID 106248539

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol (CID 63929657) is 1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol is COCC(O)CNc1ccc(F)cc1OC.
What is the InChIKey of 1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol?
The InChIKey is HXOZVEKCXLKKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-15-7-9(14)6-13-10-4-3-8(12)5-11(10)16-2/h3-5,9,13-14H,6-7H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol?
1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol has a molecular weight of 229.25 g/mol, XLogP of 1.25, 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-methoxyanilino)-3-methoxypropan-2-ol is sourced from PubChem (CID 63929657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).