1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol

C17H20FNO2 — CID 60900779

IUPAC1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol
SMILESCc1ccc(F)c(NCC(O)COCc2ccccc2)c1
InChIInChI=1S/C17H20FNO2/c1-13-7-8-16(18)17(9-13)19-10-15(20)12-21-11-14-5-3-2-4-6-14/h2-9,15,19-20H,10-12H2,1H3
InChIKeyIYYKBDIQBVGIBK-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.12
Rot. Bonds7

About 1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol

1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol (PubChem CID 60900779) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol
PubChem CID60900779
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol
SMILESCc1ccc(F)c(NCC(O)COCc2ccccc2)c1
InChIInChI=1S/C17H20FNO2/c1-13-7-8-16(18)17(9-13)19-10-15(20)12-21-11-14-5-3-2-4-6-14/h2-9,15,19-20H,10-12H2,1H3
InChIKeyIYYKBDIQBVGIBK-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-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-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60898020
1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60900206
1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60901744
1-(2-fluoro-5-methylanilino)butan-2-ol
CID 60887090
1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol
CID 81270209
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol
CID 60900159
1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60900397
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
1-[1-(3,4-difluorophenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110877396
1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110904741
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol (CID 60900779) is 1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol is Cc1ccc(F)c(NCC(O)COCc2ccccc2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol?
The InChIKey is IYYKBDIQBVGIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-13-7-8-16(18)17(9-13)19-10-15(20)12-21-11-14-5-3-2-4-6-14/h2-9,15,19-20H,10-12H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol?
1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol has a molecular weight of 289.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 60900779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).