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

C14H23NO2 — CID 79604002

IUPAC5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol
SMILESCCN(CC(C)C)c1ccc(C(C)O)c(O)c1
InChIInChI=1S/C14H23NO2/c1-5-15(9-10(2)3)12-6-7-13(11(4)16)14(17)8-12/h6-8,10-11,16-17H,5,9H2,1-4H3
InChIKeyVKUCWBDVSCPAQX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.93
Rot. Bonds5

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

5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol (PubChem CID 79604002) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol
PubChem CID79604002
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol
SMILESCCN(CC(C)C)c1ccc(C(C)O)c(O)c1
InChIInChI=1S/C14H23NO2/c1-5-15(9-10(2)3)12-6-7-13(11(4)16)14(17)8-12/h6-8,10-11,16-17H,5,9H2,1-4H3
InChIKeyVKUCWBDVSCPAQX-UHFFFAOYSA-N
XLogP2.93
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.93
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-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol
CID 79603080
2-[(1S,2R)-1-amino-2-hydroxy-5-methylhexyl]-5-(diethylamino)phenol;hydrochloride
CID 171266478
2-[(1S)-1-amino-3-methylbutyl]-5-(diethylamino)phenol
CID 171217383
2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol
CID 79604011
2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol
CID 107481086
2-[(1R)-1-amino-2,2-difluoroethyl]-5-(diethylamino)phenol;hydrochloride
CID 171238756
1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol
CID 114066768
1-[4-(diethylamino)-2-hydroxyphenyl]-3-(methylamino)propane-1,2-diol
CID 171859206
3-[3-hydroxy-4-(1-hydroxyethyl)-N-methylanilino]-2-methylpropanenitrile
CID 79603502
2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol
CID 79604182
ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate
CID 15446383

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol?
The IUPAC name of 5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol (CID 79604002) is 5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol.
What is the SMILES notation for 5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol?
The canonical SMILES for 5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol is CCN(CC(C)C)c1ccc(C(C)O)c(O)c1.
What is the InChIKey of 5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol?
The InChIKey is VKUCWBDVSCPAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-15(9-10(2)3)12-6-7-13(11(4)16)14(17)8-12/h6-8,10-11,16-17H,5,9H2,1-4H3.
What are the key properties of 5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol?
5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol has a molecular weight of 237.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol is sourced from PubChem (CID 79604002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).