amino-(2-ethylphenyl)methanediol

C9H13NO2 — CID 174590364

IUPACamino-(2-ethylphenyl)methanediol
SMILESCCc1ccccc1C(N)(O)O
InChIInChI=1S/C9H13NO2/c1-2-7-5-3-4-6-8(7)9(10,11)12/h3-6,11-12H,2,10H2,1H3
InChIKeyHGZSETWGWAHQGU-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.30
Rot. Bonds2

About amino-(2-ethylphenyl)methanediol

amino-(2-ethylphenyl)methanediol (PubChem CID 174590364) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is amino-(2-ethylphenyl)methanediol.

Molecular Properties

Compound Nameamino-(2-ethylphenyl)methanediol
PubChem CID174590364
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameamino-(2-ethylphenyl)methanediol
SMILESCCc1ccccc1C(N)(O)O
InChIInChI=1S/C9H13NO2/c1-2-7-5-3-4-6-8(7)9(10,11)12/h3-6,11-12H,2,10H2,1H3
InChIKeyHGZSETWGWAHQGU-UHFFFAOYSA-N
XLogP0.30
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze amino-(2-ethylphenyl)methanediol 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

2-(2-ethylphenyl)propan-2-ol
CID 11958936
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane
CID 143578858
2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol
CID 156763097
3-(2-ethylphenyl)pentane-3-sulfonic acid
CID 151121032
[(2-ethylphenyl)-dihydroxymethyl] benzoate
CID 54176841
1,2-diethylbenzene;hydrobromide
CID 174973685
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol
CID 67532608
3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one
CID 142196586
carbonic acid;1,2-diethylbenzene
CID 89388803
1,2-diethylbenzene;silyloxysilane
CID 158803052
3-(2-ethylphenyl)-N-oxidopentan-3-amine
CID 141431136

Frequently Asked Questions

What is the IUPAC name of amino-(2-ethylphenyl)methanediol?
The IUPAC name of amino-(2-ethylphenyl)methanediol (CID 174590364) is amino-(2-ethylphenyl)methanediol.
What is the SMILES notation for amino-(2-ethylphenyl)methanediol?
The canonical SMILES for amino-(2-ethylphenyl)methanediol is CCc1ccccc1C(N)(O)O.
What is the InChIKey of amino-(2-ethylphenyl)methanediol?
The InChIKey is HGZSETWGWAHQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-7-5-3-4-6-8(7)9(10,11)12/h3-6,11-12H,2,10H2,1H3.
What are the key properties of amino-(2-ethylphenyl)methanediol?
amino-(2-ethylphenyl)methanediol has a molecular weight of 167.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-ethylphenyl)methanediol is sourced from PubChem (CID 174590364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).