3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol

C10H15FN2O2 — CID 114839015

IUPAC3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol
SMILESCOc1cc(NC(CN)CO)ccc1F
InChIInChI=1S/C10H15FN2O2/c1-15-10-4-7(2-3-9(10)11)13-8(5-12)6-14/h2-4,8,13-14H,5-6,12H2,1H3
InChIKeyZRMAEWQGKSJEOA-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.57
Rot. Bonds5

About 3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol

3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol (PubChem CID 114839015) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol
PubChem CID114839015
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol
SMILESCOc1cc(NC(CN)CO)ccc1F
InChIInChI=1S/C10H15FN2O2/c1-15-10-4-7(2-3-9(10)11)13-8(5-12)6-14/h2-4,8,13-14H,5-6,12H2,1H3
InChIKeyZRMAEWQGKSJEOA-UHFFFAOYSA-N
XLogP0.57
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-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

4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide
CID 114838945
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839107
2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine
CID 114839130
4-fluoro-N-heptan-3-yl-3-methoxyaniline
CID 114838067
N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide
CID 114135666
1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839027
4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline
CID 114838484
2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide
CID 114839350
1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol
CID 82397890
3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide
CID 114839771
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol?
The IUPAC name of 3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol (CID 114839015) is 3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol is COc1cc(NC(CN)CO)ccc1F.
What is the InChIKey of 3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol?
The InChIKey is ZRMAEWQGKSJEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-15-10-4-7(2-3-9(10)11)13-8(5-12)6-14/h2-4,8,13-14H,5-6,12H2,1H3.
What are the key properties of 3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol?
3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol has a molecular weight of 214.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol is sourced from PubChem (CID 114839015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).