1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine

C14H17NO — CID 571134

IUPAC1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine
SMILESCC(/N=C/C1=CCCOC1)c1ccccc1
InChIInChI=1S/C14H17NO/c1-12(14-7-3-2-4-8-14)15-10-13-6-5-9-16-11-13/h2-4,6-8,10,12H,5,9,11H2,1H3/b15-10+
InChIKeyMOBDWZXYPARJHB-XNTDXEJSSA-N
MW215.30 g/mol
LogP3.17
Rot. Bonds3

About 1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine

1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine (PubChem CID 571134) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine
PubChem CID571134
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine
SMILESCC(/N=C/C1=CCCOC1)c1ccccc1
InChIInChI=1S/C14H17NO/c1-12(14-7-3-2-4-8-14)15-10-13-6-5-9-16-11-13/h2-4,6-8,10,12H,5,9,11H2,1H3/b15-10+
InChIKeyMOBDWZXYPARJHB-XNTDXEJSSA-N
XLogP3.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.17
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

3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine
CID 11076735
3-Ethoxy-5-methyl-1H-2-benzazepine
CID 15047404
4-Fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine
CID 57050025
N-(4-ethoxy-4-fluorocyclohexa-1,5-dien-1-yl)-1-phenylmethanimine
CID 70636640
3-Ethoxy-4-methyl-1H-2-benzazepine
CID 15047405
methyl (NE)-N-[(6Z)-6-[2-[(1S)-1-phenylethyl]iminooxolan-3-ylidene]cyclohexa-2,4-dien-1-ylidene]carbamate
CID 53328838
4-tert-butyl-7-methoxy-2-phenyl-2H-azepine
CID 86083582
p-Methoxy-benzylidene-p-tolylamine
CID 129778043
ethyl (E)-3-methyl-4-(1-phenylethylimino)pent-2-enoate
CID 134924977
3-Ethoxy-4,5-dimethyl-1H-2-benzazepine
CID 15047409
(4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole
CID 15744869
3-ethoxy-4,5-dimethyl-1-phenyl-1H-2-benzazepine
CID 21595837

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine (CID 571134) is 1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine is CC(/N=C/C1=CCCOC1)c1ccccc1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine?
The InChIKey is MOBDWZXYPARJHB-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H17NO/c1-12(14-7-3-2-4-8-14)15-10-13-6-5-9-16-11-13/h2-4,6-8,10,12H,5,9,11H2,1H3/b15-10+.
What are the key properties of 1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine?
1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine has a molecular weight of 215.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-5-yl)-N-(1-phenylethyl)methanimine is sourced from PubChem (CID 571134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).