[5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol

C19H23NO2 — CID 110902815

IUPAC[5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NC(c2ccccc2)C2CC2)cc1CO
InChIInChI=1S/C19H23NO2/c1-2-22-18-11-10-17(12-16(18)13-21)20-19(15-8-9-15)14-6-4-3-5-7-14/h3-7,10-12,15,19-21H,2,8-9,13H2,1H3
InChIKeyHIBDFUFYSNMJAV-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.14
Rot. Bonds7

About [5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol

[5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol (PubChem CID 110902815) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol
PubChem CID110902815
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NC(c2ccccc2)C2CC2)cc1CO
InChIInChI=1S/C19H23NO2/c1-2-22-18-11-10-17(12-16(18)13-21)20-19(15-8-9-15)14-6-4-3-5-7-14/h3-7,10-12,15,19-21H,2,8-9,13H2,1H3
InChIKeyHIBDFUFYSNMJAV-UHFFFAOYSA-N
XLogP4.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.14
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-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol
CID 62708979
3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol
CID 60980205
[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 60980206
N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 111629887
[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol
CID 110897363
4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
CID 106594412
4-[[cyclopropyl(phenyl)methyl]amino]phenol
CID 61313766
2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide
CID 61312189
[2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
CID 71990932
[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol
CID 64500267
(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide
CID 94796172
[2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol
CID 54881622

Frequently Asked Questions

What is the IUPAC name of [5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol?
The IUPAC name of [5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol (CID 110902815) is [5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol is CCOc1ccc(NC(c2ccccc2)C2CC2)cc1CO.
What is the InChIKey of [5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol?
The InChIKey is HIBDFUFYSNMJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-22-18-11-10-17(12-16(18)13-21)20-19(15-8-9-15)14-6-4-3-5-7-14/h3-7,10-12,15,19-21H,2,8-9,13H2,1H3.
What are the key properties of [5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol?
[5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol has a molecular weight of 297.40 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol is sourced from PubChem (CID 110902815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).