2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol

C19H23NO3 — CID 2731298

IUPAC2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol
SMILESCC/C(=N\CCc1ccc(OC)c(OC)c1)c1ccccc1O
InChIInChI=1S/C19H23NO3/c1-4-16(15-7-5-6-8-17(15)21)20-12-11-14-9-10-18(22-2)19(13-14)23-3/h5-10,13,21H,4,11-12H2,1-3H3/b20-16+
InChIKeyPROLRTUEHQZPBF-CAPFRKAQSA-N
MW313.40 g/mol
LogP3.85
Rot. Bonds7

About 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol

2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol (PubChem CID 2731298) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol
PubChem CID2731298
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol
SMILESCC/C(=N\CCc1ccc(OC)c(OC)c1)c1ccccc1O
InChIInChI=1S/C19H23NO3/c1-4-16(15-7-5-6-8-17(15)21)20-12-11-14-9-10-18(22-2)19(13-14)23-3/h5-10,13,21H,4,11-12H2,1-3H3/b20-16+
InChIKeyPROLRTUEHQZPBF-CAPFRKAQSA-N
XLogP3.85
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-((3,4-Dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxyisoquinoline
CID 22176
Diproteverine
CID 50463
6,7-Dimethoxy-1-phenyl-3,4-dihydroisoquinoline
CID 622378
3,4-Dihydro-6,7-dimethoxy-1-methylisoquinoline
CID 22652
Benzaldehyde, 4-hydroxy-3-methoxy-, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazone
CID 135414383
Cambridge id 5542969
CID 135455184
1-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 429249
6,7-Dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline
CID 872504
6,7-Dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline
CID 3766962
1,2-Dehydroreticuline
CID 440930
4-[(E)-{[2-(3,4-dimethoxyphenyl)ethyl]imino}methyl]phenol
CID 1809906
Phenol, 2-[[[2-(3,4-dimethoxyphenyl)ethyl]imino]methyl]-
CID 2245956

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol (CID 2731298) is 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol is CC/C(=N\CCc1ccc(OC)c(OC)c1)c1ccccc1O.
What is the InChIKey of 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol?
The InChIKey is PROLRTUEHQZPBF-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-16(15-7-5-6-8-17(15)21)20-12-11-14-9-10-18(22-2)19(13-14)23-3/h5-10,13,21H,4,11-12H2,1-3H3/b20-16+.
What are the key properties of 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol?
2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol has a molecular weight of 313.40 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol is sourced from PubChem (CID 2731298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).