2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol

C19H23NO2 — CID 110922625

IUPAC2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol
SMILESCOc1ccccc1/C=C/CNCC(O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO2/c1-15-9-11-16(12-10-15)18(21)14-20-13-5-7-17-6-3-4-8-19(17)22-2/h3-12,18,20-21H,13-14H2,1-2H3/b7-5+
InChIKeyDHNGCGNUYBJKLD-FNORWQNLSA-N
MW297.40 g/mol
LogP3.34
Rot. Bonds7

About 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol

2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol (PubChem CID 110922625) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol
PubChem CID110922625
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol
SMILESCOc1ccccc1/C=C/CNCC(O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO2/c1-15-9-11-16(12-10-15)18(21)14-20-13-5-7-17-6-3-4-8-19(17)22-2/h3-12,18,20-21H,13-14H2,1-2H3/b7-5+
InChIKeyDHNGCGNUYBJKLD-FNORWQNLSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol (CID 110922625) is 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol is COc1ccccc1/C=C/CNCC(O)c1ccc(C)cc1.
What is the InChIKey of 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol?
The InChIKey is DHNGCGNUYBJKLD-FNORWQNLSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15-9-11-16(12-10-15)18(21)14-20-13-5-7-17-6-3-4-8-19(17)22-2/h3-12,18,20-21H,13-14H2,1-2H3/b7-5+.
What are the key properties of 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol?
2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol has a molecular weight of 297.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 110922625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).