(E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine

C16H16N2 — CID 12914611

IUPAC(E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine
SMILESC(=N/N1CCCc2ccccc21)\c1ccccc1
InChIInChI=1S/C16H16N2/c1-2-7-14(8-3-1)13-17-18-12-6-10-15-9-4-5-11-16(15)18/h1-5,7-9,11,13H,6,10,12H2/b17-13+
InChIKeyOTLNLVKDMPMHQL-GHRIWEEISA-N
MW236.32 g/mol
LogP3.47
Rot. Bonds2

About (E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine

(E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine (PubChem CID 12914611) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine
PubChem CID12914611
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name(E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine
SMILESC(=N/N1CCCc2ccccc21)\c1ccccc1
InChIInChI=1S/C16H16N2/c1-2-7-14(8-3-1)13-17-18-12-6-10-15-9-4-5-11-16(15)18/h1-5,7-9,11,13H,6,10,12H2/b17-13+
InChIKeyOTLNLVKDMPMHQL-GHRIWEEISA-N
XLogP3.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine
CID 12023374
N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine
CID 165346469
N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454
1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
CID 135683533
1-(benzylideneamino)-1,3-diazinan-2-one
CID 54495459
4-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9258347
N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline
CID 54417947
N-cyclohexa-1,3-dien-1-yl-N-[4-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]cyclohexa-2,4-dien-1-yl]aniline
CID 172940170
1-fluoro-3,4-dihydro-2H-quinoline
CID 141340619
1-oxido-3,4-dihydro-2H-quinoline
CID 18542548
N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline
CID 54078156
(E)-1-[2-[(E)-2,3-dihydroindol-1-yliminomethyl]phenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 53376070

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine?
The IUPAC name of (E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine (CID 12914611) is (E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine.
What is the SMILES notation for (E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine?
The canonical SMILES for (E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine is C(=N/N1CCCc2ccccc21)\c1ccccc1.
What is the InChIKey of (E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine?
The InChIKey is OTLNLVKDMPMHQL-GHRIWEEISA-N. The full InChI is InChI=1S/C16H16N2/c1-2-7-14(8-3-1)13-17-18-12-6-10-15-9-4-5-11-16(15)18/h1-5,7-9,11,13H,6,10,12H2/b17-13+.
What are the key properties of (E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine?
(E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine has a molecular weight of 236.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine is sourced from PubChem (CID 12914611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).