N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine

C19H22N2O2 — CID 135401643

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine
SMILESCOc1ccc(CC/N=C2\CCc3ccccc3N2)cc1OC
InChIInChI=1S/C19H22N2O2/c1-22-17-9-7-14(13-18(17)23-2)11-12-20-19-10-8-15-5-3-4-6-16(15)21-19/h3-7,9,13H,8,10-12H2,1-2H3,(H,20,21)
InChIKeyWJZMPHLTKQRJMK-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.70
Rot. Bonds5

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine

N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine (PubChem CID 135401643) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine
PubChem CID135401643
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine
SMILESCOc1ccc(CC/N=C2\CCc3ccccc3N2)cc1OC
InChIInChI=1S/C19H22N2O2/c1-22-17-9-7-14(13-18(17)23-2)11-12-20-19-10-8-15-5-3-4-6-16(15)21-19/h3-7,9,13H,8,10-12H2,1-2H3,(H,20,21)
InChIKeyWJZMPHLTKQRJMK-UHFFFAOYSA-N
XLogP3.70
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine
CID 174927015
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135934558
bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 174695660
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984810
N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
CID 10857049
2-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 10859894
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 65096294
3-[2-(3,4-dimethoxyphenyl)ethylimino]-2-[hydroxy(phenyl)methylidene]-5,5-dimethylcyclohexan-1-one
CID 135439409
N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide
CID 63173820
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288
1-[2-(3,4-dimethoxyphenyl)ethyl]-3H-2,1-benzothiazole 2,2-dioxide
CID 166290972

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine (CID 135401643) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine is COc1ccc(CC/N=C2\CCc3ccccc3N2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine?
The InChIKey is WJZMPHLTKQRJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-22-17-9-7-14(13-18(17)23-2)11-12-20-19-10-8-15-5-3-4-6-16(15)21-19/h3-7,9,13H,8,10-12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine has a molecular weight of 310.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine is sourced from PubChem (CID 135401643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).