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

C10H15NO2 — CID 174811459

IUPAC3-(3-amino-2-methylphenyl)propane-1,2-diol
SMILESCc1c(N)cccc1CC(O)CO
InChIInChI=1S/C10H15NO2/c1-7-8(5-9(13)6-12)3-2-4-10(7)11/h2-4,9,12-13H,5-6,11H2,1H3
InChIKeyWJCYQNOVBNLRCR-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.47
Rot. Bonds3

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

3-(3-amino-2-methylphenyl)propane-1,2-diol (PubChem CID 174811459) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(3-amino-2-methylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-amino-2-methylphenyl)propane-1,2-diol
PubChem CID174811459
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(3-amino-2-methylphenyl)propane-1,2-diol
SMILESCc1c(N)cccc1CC(O)CO
InChIInChI=1S/C10H15NO2/c1-7-8(5-9(13)6-12)3-2-4-10(7)11/h2-4,9,12-13H,5-6,11H2,1H3
InChIKeyWJCYQNOVBNLRCR-UHFFFAOYSA-N
XLogP0.47
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 130643080
3-ethyl-2-methylaniline
CID 19879636
3-(methoxymethyl)-2-methylaniline
CID 14801184
2-methyl-3-(phenylmethoxymethyl)aniline
CID 43509269
2-(2,3-dihydroxypropyl)benzamide
CID 163691147
3-(furan-2-ylmethoxymethyl)-2-methylaniline
CID 43509271
2-(3-amino-2-methylphenyl)acetaldehyde
CID 174431818
3-(2-phenylphenyl)propane-1,2-diol
CID 154118569
3-bromo-2-methylaniline;1-bromo-2-methyl-3-(2-methylpropyl)benzene;propan-2-one
CID 159765875
2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol
CID 60980897
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333
3-anthracen-1-ylpropane-1,2-diol
CID 175541377

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylphenyl)propane-1,2-diol?
The IUPAC name of 3-(3-amino-2-methylphenyl)propane-1,2-diol (CID 174811459) is 3-(3-amino-2-methylphenyl)propane-1,2-diol.
What is the SMILES notation for 3-(3-amino-2-methylphenyl)propane-1,2-diol?
The canonical SMILES for 3-(3-amino-2-methylphenyl)propane-1,2-diol is Cc1c(N)cccc1CC(O)CO.
What is the InChIKey of 3-(3-amino-2-methylphenyl)propane-1,2-diol?
The InChIKey is WJCYQNOVBNLRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-8(5-9(13)6-12)3-2-4-10(7)11/h2-4,9,12-13H,5-6,11H2,1H3.
What are the key properties of 3-(3-amino-2-methylphenyl)propane-1,2-diol?
3-(3-amino-2-methylphenyl)propane-1,2-diol has a molecular weight of 181.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylphenyl)propane-1,2-diol is sourced from PubChem (CID 174811459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).