5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol

C13H21NO2 — CID 79603748

IUPAC5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
SMILESCCCN(CC)c1ccc(C(C)O)c(O)c1
InChIInChI=1S/C13H21NO2/c1-4-8-14(5-2)11-6-7-12(10(3)15)13(16)9-11/h6-7,9-10,15-16H,4-5,8H2,1-3H3
InChIKeyQAHZZXHJUXBPNY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.68
Rot. Bonds5

About 5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol

5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol (PubChem CID 79603748) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
PubChem CID79603748
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
SMILESCCCN(CC)c1ccc(C(C)O)c(O)c1
InChIInChI=1S/C13H21NO2/c1-4-8-14(5-2)11-6-7-12(10(3)15)13(16)9-11/h6-7,9-10,15-16H,4-5,8H2,1-3H3
InChIKeyQAHZZXHJUXBPNY-UHFFFAOYSA-N
XLogP2.68
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol
CID 79603080
5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol
CID 79604002
2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol
CID 79604182
2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol
CID 107481086
2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol
CID 102994161
ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate
CID 15446383
5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603717
2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol
CID 79604011
2-[(1S)-1-amino-3-methylbutyl]-5-(diethylamino)phenol
CID 171217383
2-[(1R)-1-amino-2,2-difluoroethyl]-5-(diethylamino)phenol;hydrochloride
CID 171238756
2-[1-(ethylamino)ethyl]-5-[ethyl(2,2,2-trifluoroethyl)amino]phenol
CID 79603980
2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
CID 79603670

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol?
The IUPAC name of 5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol (CID 79603748) is 5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol.
What is the SMILES notation for 5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol?
The canonical SMILES for 5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol is CCCN(CC)c1ccc(C(C)O)c(O)c1.
What is the InChIKey of 5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol?
The InChIKey is QAHZZXHJUXBPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-8-14(5-2)11-6-7-12(10(3)15)13(16)9-11/h6-7,9-10,15-16H,4-5,8H2,1-3H3.
What are the key properties of 5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol?
5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol has a molecular weight of 223.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol is sourced from PubChem (CID 79603748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).