3-[2-[ethyl(hydroxy)amino]ethyl]phenol

C10H15NO2 — CID 87468312

IUPAC3-[2-[ethyl(hydroxy)amino]ethyl]phenol
SMILESCCN(O)CCc1cccc(O)c1
InChIInChI=1S/C10H15NO2/c1-2-11(13)7-6-9-4-3-5-10(12)8-9/h3-5,8,12-13H,2,6-7H2,1H3
InChIKeyZFNSPOBXAQDVKP-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.65
Rot. Bonds4

About 3-[2-[ethyl(hydroxy)amino]ethyl]phenol

3-[2-[ethyl(hydroxy)amino]ethyl]phenol (PubChem CID 87468312) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-[2-[ethyl(hydroxy)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[ethyl(hydroxy)amino]ethyl]phenol
PubChem CID87468312
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-[2-[ethyl(hydroxy)amino]ethyl]phenol
SMILESCCN(O)CCc1cccc(O)c1
InChIInChI=1S/C10H15NO2/c1-2-11(13)7-6-9-4-3-5-10(12)8-9/h3-5,8,12-13H,2,6-7H2,1H3
InChIKeyZFNSPOBXAQDVKP-UHFFFAOYSA-N
XLogP1.65
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-[butyl-[2-(3-hydroxyphenyl)ethyl]amino]ethyl]phenol
CID 122596940
3-[2-[methyl(propan-2-yl)amino]ethyl]phenol
CID 167492179
phenol;3-propylphenol
CID 66960022
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine
CID 90702966
N-ethyl-N-(3-phenylpropyl)hydroxylamine
CID 146633464
3-(3-hydroxypentyl)phenol
CID 21193621
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(hydroxy)amino]ethyl]phenol?
The IUPAC name of 3-[2-[ethyl(hydroxy)amino]ethyl]phenol (CID 87468312) is 3-[2-[ethyl(hydroxy)amino]ethyl]phenol.
What is the SMILES notation for 3-[2-[ethyl(hydroxy)amino]ethyl]phenol?
The canonical SMILES for 3-[2-[ethyl(hydroxy)amino]ethyl]phenol is CCN(O)CCc1cccc(O)c1.
What is the InChIKey of 3-[2-[ethyl(hydroxy)amino]ethyl]phenol?
The InChIKey is ZFNSPOBXAQDVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-11(13)7-6-9-4-3-5-10(12)8-9/h3-5,8,12-13H,2,6-7H2,1H3.
What are the key properties of 3-[2-[ethyl(hydroxy)amino]ethyl]phenol?
3-[2-[ethyl(hydroxy)amino]ethyl]phenol has a molecular weight of 181.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(hydroxy)amino]ethyl]phenol is sourced from PubChem (CID 87468312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).