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

C10H16N2O2 — CID 170827782

IUPAC3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN)c(N)c1
InChIInChI=1S/C10H16N2O2/c1-6-2-3-7(8(12)4-6)10(14)9(13)5-11/h2-4,9-10,13-14H,5,11-12H2,1H3
InChIKeyZKDVRAGCPNCQIY-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.07
Rot. Bonds3

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

3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol (PubChem CID 170827782) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol
PubChem CID170827782
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN)c(N)c1
InChIInChI=1S/C10H16N2O2/c1-6-2-3-7(8(12)4-6)10(14)9(13)5-11/h2-4,9-10,13-14H,5,11-12H2,1H3
InChIKeyZKDVRAGCPNCQIY-UHFFFAOYSA-N
XLogP-0.07
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.07
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-(2-amino-4-methylphenyl)butane-1,2,4-triol
CID 171872034
3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol
CID 170827678
3-amino-1-(2-methoxy-4-methylphenyl)propane-1,2-diol
CID 170827970
3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol
CID 170828062
1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol
CID 105447479
ethane;5-methyl-2-propan-2-ylaniline
CID 142850696
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
3-amino-1-(4-amino-3,5-dimethylphenyl)propane-1,2-diol
CID 170828087
3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol
CID 170827517
3-amino-1-(2-amino-5-methyl-4-nitrophenyl)propane-1,2-diol
CID 170828655
4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide
CID 171898906
1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol
CID 83909356

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol (CID 170827782) is 3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol is Cc1ccc(C(O)C(O)CN)c(N)c1.
What is the InChIKey of 3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol?
The InChIKey is ZKDVRAGCPNCQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6-2-3-7(8(12)4-6)10(14)9(13)5-11/h2-4,9-10,13-14H,5,11-12H2,1H3.
What are the key properties of 3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol?
3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol has a molecular weight of 196.25 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-(2-amino-4-methylphenyl)propane-1,2-diol is sourced from PubChem (CID 170827782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).