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

C18H23NO2 — CID 60980206

IUPAC[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol
SMILESCCOc1ccc(NC(C)c2ccccc2C)cc1CO
InChIInChI=1S/C18H23NO2/c1-4-21-18-10-9-16(11-15(18)12-20)19-14(3)17-8-6-5-7-13(17)2/h5-11,14,19-20H,4,12H2,1-3H3
InChIKeyYMIIQMNAGZYTIK-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.06
Rot. Bonds6

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

[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol (PubChem CID 60980206) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol
PubChem CID60980206
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol
SMILESCCOc1ccc(NC(C)c2ccccc2C)cc1CO
InChIInChI=1S/C18H23NO2/c1-4-21-18-10-9-16(11-15(18)12-20)19-14(3)17-8-6-5-7-13(17)2/h5-11,14,19-20H,4,12H2,1-3H3
InChIKeyYMIIQMNAGZYTIK-UHFFFAOYSA-N
XLogP4.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide
CID 110900380
3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol
CID 60980205
[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol
CID 110897363
[2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol
CID 54881622
[2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
CID 71990932
[5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol
CID 60980477
[5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol
CID 110902815
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 110900389
[2-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 43743253
[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 60980334
(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652621

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol (CID 60980206) is [2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol is CCOc1ccc(NC(C)c2ccccc2C)cc1CO.
What is the InChIKey of [2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol?
The InChIKey is YMIIQMNAGZYTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-21-18-10-9-16(11-15(18)12-20)19-14(3)17-8-6-5-7-13(17)2/h5-11,14,19-20H,4,12H2,1-3H3.
What are the key properties of [2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol?
[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol has a molecular weight of 285.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol is sourced from PubChem (CID 60980206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).