3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol

C10H15FN2O2 — CID 170828062

IUPAC3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol
SMILESCc1c(N)ccc(C(O)C(O)CN)c1F
InChIInChI=1S/C10H15FN2O2/c1-5-7(13)3-2-6(9(5)11)10(15)8(14)4-12/h2-3,8,10,14-15H,4,12-13H2,1H3
InChIKeyUYEPINQEKPJKTR-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.07
Rot. Bonds3

About 3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol

3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol (PubChem CID 170828062) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol
PubChem CID170828062
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol
SMILESCc1c(N)ccc(C(O)C(O)CN)c1F
InChIInChI=1S/C10H15FN2O2/c1-5-7(13)3-2-6(9(5)11)10(15)8(14)4-12/h2-3,8,10,14-15H,4,12-13H2,1H3
InChIKeyUYEPINQEKPJKTR-UHFFFAOYSA-N
XLogP0.07
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-fluoro-3-methylphenyl)-3-chloropropane-1,2-diol
CID 171862059
N-[3-(4-amino-2-fluoro-3-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830083
3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol
CID 170827782
1-(4-amino-2,3-dimethylphenyl)-3-bromopropane-1,2-diol
CID 171860042
1-(4-amino-2,3-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171890299
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899234
3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol
CID 170827678
methyl 4-(4-amino-2,3-difluorophenyl)-3,4-dihydroxybutanoate
CID 171895672
3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol
CID 170827950
3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
CID 170828749
1-[3-(3-amino-1,2-dihydroxypropyl)-4-fluorophenyl]ethanone
CID 170828348
3-amino-1-(2-amino-5-chloro-3-fluorophenyl)propane-1,2-diol
CID 170828108

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol (CID 170828062) is 3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol is Cc1c(N)ccc(C(O)C(O)CN)c1F.
What is the InChIKey of 3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol?
The InChIKey is UYEPINQEKPJKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-5-7(13)3-2-6(9(5)11)10(15)8(14)4-12/h2-3,8,10,14-15H,4,12-13H2,1H3.
What are the key properties of 3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol?
3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol has a molecular weight of 214.24 g/mol, XLogP of 0.07, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol is sourced from PubChem (CID 170828062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).