1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol

C14H21F3N2O2 — CID 106284308

IUPAC1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H21F3N2O2/c1-3-8(4-2)12(20)7-19-11-6-13(21-14(16)17)9(15)5-10(11)18/h5-6,8,12,14,19-20H,3-4,7,18H2,1-2H3
InChIKeyVEMFHXSSFKDIGU-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.22
Rot. Bonds8

About 1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol

1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol (PubChem CID 106284308) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol
PubChem CID106284308
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H21F3N2O2/c1-3-8(4-2)12(20)7-19-11-6-13(21-14(16)17)9(15)5-10(11)18/h5-6,8,12,14,19-20H,3-4,7,18H2,1-2H3
InChIKeyVEMFHXSSFKDIGU-UHFFFAOYSA-N
XLogP3.22
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-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

3-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]propane-1,2-diol
CID 66176537
1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol
CID 106284328
4-fluoro-5-methoxy-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 63597325
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
1-N-[2-(dimethylamino)propyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 55217444
2-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-2-ethylpropane-1,3-diol
CID 107864587
3-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-N,2,2-trimethylpropanamide
CID 106275375
2-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63592047
1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol
CID 106284251
4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 63926092
4-(difluoromethoxy)-5-fluoro-2-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 63593157
[1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol
CID 63591935

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol (CID 106284308) is 1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNc1cc(OC(F)F)c(F)cc1N.
What is the InChIKey of 1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol?
The InChIKey is VEMFHXSSFKDIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-3-8(4-2)12(20)7-19-11-6-13(21-14(16)17)9(15)5-10(11)18/h5-6,8,12,14,19-20H,3-4,7,18H2,1-2H3.
What are the key properties of 1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol?
1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol has a molecular weight of 306.33 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106284308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).