[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol

C18H23NO3 — CID 110897363

IUPAC[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol
SMILESCCOc1ccc(NC(C)c2cccc(OC)c2)cc1CO
InChIInChI=1S/C18H23NO3/c1-4-22-18-9-8-16(10-15(18)12-20)19-13(2)14-6-5-7-17(11-14)21-3/h5-11,13,19-20H,4,12H2,1-3H3
InChIKeyKOEVMHFMVGEBKR-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.76
Rot. Bonds7

About [2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol

[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol (PubChem CID 110897363) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is [2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol
PubChem CID110897363
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol
SMILESCCOc1ccc(NC(C)c2cccc(OC)c2)cc1CO
InChIInChI=1S/C18H23NO3/c1-4-22-18-9-8-16(10-15(18)12-20)19-13(2)14-6-5-7-17(11-14)21-3/h5-11,13,19-20H,4,12H2,1-3H3
InChIKeyKOEVMHFMVGEBKR-UHFFFAOYSA-N
XLogP3.76
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
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

3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol
CID 60980205
[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 60980206
5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 60935228
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60943275
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
[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

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol (CID 110897363) is [2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol is CCOc1ccc(NC(C)c2cccc(OC)c2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol?
The InChIKey is KOEVMHFMVGEBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-4-22-18-9-8-16(10-15(18)12-20)19-13(2)14-6-5-7-17(11-14)21-3/h5-11,13,19-20H,4,12H2,1-3H3.
What are the key properties of [2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol?
[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol has a molecular weight of 301.39 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol is sourced from PubChem (CID 110897363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).