1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol

C10H16N2O2 — CID 171857462

IUPAC1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O2/c1-12-6-9(13)10(14)7-2-4-8(11)5-3-7/h2-5,9-10,12-14H,6,11H2,1H3
InChIKeyZEGXWNDGBCJSFT-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.12
Rot. Bonds4

About 1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol

1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171857462) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
PubChem CID171857462
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O2/c1-12-6-9(13)10(14)7-2-4-8(11)5-3-7/h2-5,9-10,12-14H,6,11H2,1H3
InChIKeyZEGXWNDGBCJSFT-UHFFFAOYSA-N
XLogP-0.12
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.12
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

3-(methylamino)-1-(4-sulfanylphenyl)propane-1,2-diol
CID 171857392
3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol
CID 171857789
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
1-[4-(diethoxymethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171859140
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858752
3-(methylamino)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propane-1,2-diol
CID 171858536
1-[3-amino-4-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858594
3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171858532
3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol
CID 171857359
2-[4-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]-2-methylpropanoic acid
CID 171858801
1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol
CID 171857917
5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide
CID 171858406

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol (CID 171857462) is 1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is ZEGXWNDGBCJSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12-6-9(13)10(14)7-2-4-8(11)5-3-7/h2-5,9-10,12-14H,6,11H2,1H3.
What are the key properties of 1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol?
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of -0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171857462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).