1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol

C16H18FNO2 — CID 60719889

IUPAC1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
SMILESCc1cccc(NCC(O)COc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO2/c1-12-3-2-4-14(9-12)18-10-15(19)11-20-16-7-5-13(17)6-8-16/h2-9,15,18-19H,10-11H2,1H3
InChIKeyGVTXRTZIFJTNDN-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.99
Rot. Bonds6

About 1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol

1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol (PubChem CID 60719889) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
PubChem CID60719889
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
SMILESCc1cccc(NCC(O)COc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO2/c1-12-3-2-4-14(9-12)18-10-15(19)11-20-16-7-5-13(17)6-8-16/h2-9,15,18-19H,10-11H2,1H3
InChIKeyGVTXRTZIFJTNDN-UHFFFAOYSA-N
XLogP2.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60898164
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279
1-(3-bromo-4-fluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 104777587
1-(4-bromophenoxy)-3-(3-fluoro-5-methylanilino)propan-2-ol
CID 79044447
1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol
CID 60720370
1-(3-bromo-2-methylanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 107633833
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]benzonitrile
CID 60721678
1-(2-bromo-5-fluoroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 107635972
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60719999
1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 61074852

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol (CID 60719889) is 1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol is Cc1cccc(NCC(O)COc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol?
The InChIKey is GVTXRTZIFJTNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-12-3-2-4-14(9-12)18-10-15(19)11-20-16-7-5-13(17)6-8-16/h2-9,15,18-19H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol?
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol has a molecular weight of 275.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol is sourced from PubChem (CID 60719889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).