1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol

C13H20FNO3 — CID 106989211

IUPAC1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNc1ccc(C)c(F)c1
InChIInChI=1S/C13H20FNO3/c1-10-3-4-11(7-13(10)14)15-8-12(16)9-18-6-5-17-2/h3-4,7,12,15-16H,5-6,8-9H2,1-2H3
InChIKeyZRLMVXNOSIQFGY-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.57
Rot. Bonds8

About 1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol

1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106989211) has the molecular formula C13H20FNO3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106989211
Molecular FormulaC13H20FNO3
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNc1ccc(C)c(F)c1
InChIInChI=1S/C13H20FNO3/c1-10-3-4-11(7-13(10)14)15-8-12(16)9-18-6-5-17-2/h3-4,7,12,15-16H,5-6,8-9H2,1-2H3
InChIKeyZRLMVXNOSIQFGY-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-fluoro-3-(trifluoromethyl)anilino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989570
1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
CID 106989395
1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 106989080
1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989238
1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989154
1-(3,4-difluoroanilino)-3-hexoxypropan-2-ol
CID 60898959
1-(3,4-difluoroanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60898960
1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol
CID 115378136
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377
1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol
CID 115378094
1-(3-bromo-4-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 63333784
1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55200784

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol (CID 106989211) is 1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CNc1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is ZRLMVXNOSIQFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-10-3-4-11(7-13(10)14)15-8-12(16)9-18-6-5-17-2/h3-4,7,12,15-16H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol?
1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 257.30 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106989211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).