4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol

C14H23NO2 — CID 65107715

IUPAC4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol
SMILESCCC(O)(CC)CNC(C)c1ccc(O)cc1
InChIInChI=1S/C14H23NO2/c1-4-14(17,5-2)10-15-11(3)12-6-8-13(16)9-7-12/h6-9,11,15-17H,4-5,10H2,1-3H3
InChIKeyUURWLGXDBOJSEV-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.59
Rot. Bonds6

About 4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol

4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol (PubChem CID 65107715) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol
PubChem CID65107715
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol
SMILESCCC(O)(CC)CNC(C)c1ccc(O)cc1
InChIInChI=1S/C14H23NO2/c1-4-14(17,5-2)10-15-11(3)12-6-8-13(16)9-7-12/h6-9,11,15-17H,4-5,10H2,1-3H3
InChIKeyUURWLGXDBOJSEV-UHFFFAOYSA-N
XLogP2.59
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol
CID 65108247
3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107765
3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
CID 65107876
3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol
CID 81333592
3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107832
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 104930502
3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
CID 102976523
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459
4-[1-(2-aminoethylamino)ethyl]phenol
CID 60887563
4-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189482
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol
CID 65105547

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol?
The IUPAC name of 4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol (CID 65107715) is 4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol.
What is the SMILES notation for 4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol?
The canonical SMILES for 4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol is CCC(O)(CC)CNC(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol?
The InChIKey is UURWLGXDBOJSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-14(17,5-2)10-15-11(3)12-6-8-13(16)9-7-12/h6-9,11,15-17H,4-5,10H2,1-3H3.
What are the key properties of 4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol?
4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol is sourced from PubChem (CID 65107715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).