ethylamino(phenyl)methanediol

C9H13NO2 — CID 70286615

IUPACethylamino(phenyl)methanediol
SMILESCCNC(O)(O)c1ccccc1
InChIInChI=1S/C9H13NO2/c1-2-10-9(11,12)8-6-4-3-5-7-8/h3-7,10-12H,2H2,1H3
InChIKeyIFAYZABBUGCKDR-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.39
Rot. Bonds3

About ethylamino(phenyl)methanediol

ethylamino(phenyl)methanediol (PubChem CID 70286615) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is ethylamino(phenyl)methanediol.

Molecular Properties

Compound Nameethylamino(phenyl)methanediol
PubChem CID70286615
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameethylamino(phenyl)methanediol
SMILESCCNC(O)(O)c1ccccc1
InChIInChI=1S/C9H13NO2/c1-2-10-9(11,12)8-6-4-3-5-7-8/h3-7,10-12H,2H2,1H3
InChIKeyIFAYZABBUGCKDR-UHFFFAOYSA-N
XLogP0.39
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylamino(phenyl)methanediol?
The IUPAC name of ethylamino(phenyl)methanediol (CID 70286615) is ethylamino(phenyl)methanediol.
What is the SMILES notation for ethylamino(phenyl)methanediol?
The canonical SMILES for ethylamino(phenyl)methanediol is CCNC(O)(O)c1ccccc1.
What is the InChIKey of ethylamino(phenyl)methanediol?
The InChIKey is IFAYZABBUGCKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-10-9(11,12)8-6-4-3-5-7-8/h3-7,10-12H,2H2,1H3.
What are the key properties of ethylamino(phenyl)methanediol?
ethylamino(phenyl)methanediol has a molecular weight of 167.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino(phenyl)methanediol is sourced from PubChem (CID 70286615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).