1-(2-fluoro-4-methoxyanilino)propan-2-ol

C10H14FNO2 — CID 82539782

IUPAC1-(2-fluoro-4-methoxyanilino)propan-2-ol
SMILESCOc1ccc(NCC(C)O)c(F)c1
InChIInChI=1S/C10H14FNO2/c1-7(13)6-12-10-4-3-8(14-2)5-9(10)11/h3-5,7,12-13H,6H2,1-2H3
InChIKeyXRALGTMORSRRFV-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.63
Rot. Bonds4

About 1-(2-fluoro-4-methoxyanilino)propan-2-ol

1-(2-fluoro-4-methoxyanilino)propan-2-ol (PubChem CID 82539782) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyanilino)propan-2-ol
PubChem CID82539782
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name1-(2-fluoro-4-methoxyanilino)propan-2-ol
SMILESCOc1ccc(NCC(C)O)c(F)c1
InChIInChI=1S/C10H14FNO2/c1-7(13)6-12-10-4-3-8(14-2)5-9(10)11/h3-5,7,12-13H,6H2,1-2H3
InChIKeyXRALGTMORSRRFV-UHFFFAOYSA-N
XLogP1.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-(2-fluoro-4-methoxyanilino)propan-2-ol
CID 168636517
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
methyl 2-(2-fluoro-4-methoxyanilino)acetate
CID 82539689
2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 82538755
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
CID 82539246
3-fluoro-4-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]benzonitrile
CID 78916072
methyl 2-(2-fluoro-4-methoxyanilino)propanoate
CID 82539504
2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115
(2-fluoro-4-methoxyphenyl)hydrazine;hydrobromide
CID 138620143
(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
CID 93345470
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyanilino)propan-2-ol?
The IUPAC name of 1-(2-fluoro-4-methoxyanilino)propan-2-ol (CID 82539782) is 1-(2-fluoro-4-methoxyanilino)propan-2-ol.
What is the SMILES notation for 1-(2-fluoro-4-methoxyanilino)propan-2-ol?
The canonical SMILES for 1-(2-fluoro-4-methoxyanilino)propan-2-ol is COc1ccc(NCC(C)O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyanilino)propan-2-ol?
The InChIKey is XRALGTMORSRRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-7(13)6-12-10-4-3-8(14-2)5-9(10)11/h3-5,7,12-13H,6H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyanilino)propan-2-ol?
1-(2-fluoro-4-methoxyanilino)propan-2-ol has a molecular weight of 199.22 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyanilino)propan-2-ol is sourced from PubChem (CID 82539782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).