3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol

C17H21NO3 — CID 60980205

IUPAC3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol
SMILESCCOc1ccc(NC(C)c2cccc(O)c2)cc1CO
InChIInChI=1S/C17H21NO3/c1-3-21-17-8-7-15(9-14(17)11-19)18-12(2)13-5-4-6-16(20)10-13/h4-10,12,18-20H,3,11H2,1-2H3
InChIKeyXOSCVCXKEBCDPH-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.46
Rot. Bonds6

About 3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol

3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol (PubChem CID 60980205) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol
PubChem CID60980205
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol
SMILESCCOc1ccc(NC(C)c2cccc(O)c2)cc1CO
InChIInChI=1S/C17H21NO3/c1-3-21-17-8-7-15(9-14(17)11-19)18-12(2)13-5-4-6-16(20)10-13/h4-10,12,18-20H,3,11H2,1-2H3
InChIKeyXOSCVCXKEBCDPH-UHFFFAOYSA-N
XLogP3.46
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol
CID 110897363
[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 60980206
[2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol
CID 54881622
[5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol
CID 110902815
[5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol
CID 60980477
[2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
CID 71990932
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol
CID 107715391
[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 60980334
2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol
CID 64793713
3-[1-(4-butylanilino)ethyl]phenol
CID 43110475
N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 111629887

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol?
The IUPAC name of 3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol (CID 60980205) is 3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol.
What is the SMILES notation for 3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol?
The canonical SMILES for 3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol is CCOc1ccc(NC(C)c2cccc(O)c2)cc1CO.
What is the InChIKey of 3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol?
The InChIKey is XOSCVCXKEBCDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-21-17-8-7-15(9-14(17)11-19)18-12(2)13-5-4-6-16(20)10-13/h4-10,12,18-20H,3,11H2,1-2H3.
What are the key properties of 3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol?
3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol is sourced from PubChem (CID 60980205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).