2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine

C16H18N2O — CID 174623320

IUPAC2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine
SMILES[H]/N=C/C(CC)c1ccccc1-c1ncccc1OC
InChIInChI=1S/C16H18N2O/c1-3-12(11-17)13-7-4-5-8-14(13)16-15(19-2)9-6-10-18-16/h4-12,17H,3H2,1-2H3/b17-11+
InChIKeyAEWIEZOMONENGW-GZTJUZNOSA-N
MW254.33 g/mol
LogP3.90
Rot. Bonds5

About 2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine

2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine (PubChem CID 174623320) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine.

Molecular Properties

Compound Name2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine
PubChem CID174623320
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine
SMILES[H]/N=C/C(CC)c1ccccc1-c1ncccc1OC
InChIInChI=1S/C16H18N2O/c1-3-12(11-17)13-7-4-5-8-14(13)16-15(19-2)9-6-10-18-16/h4-12,17H,3H2,1-2H3/b17-11+
InChIKeyAEWIEZOMONENGW-GZTJUZNOSA-N
XLogP3.90
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.90
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

2-(2,3-dimethylphenyl)-3-methoxypyridine
CID 90122574
2-[1-(2-methoxyphenyl)ethyl]heptane-1,4-diimine
CID 174484222
2-(2,4-difluorophenyl)-3-methoxypyridine
CID 90122660
2-(2,3-dichlorophenyl)-3-methoxypyridine
CID 90122655
4-methoxy-5-(3-methoxy-2-pyridinyl)pyrimidine
CID 173069902
2-(2-butan-2-ylphenyl)-3-methylpyridine
CID 130282558
2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
CID 136731230
3-methoxy-2-(4-propan-2-ylphenyl)pyridine
CID 135075051
2-(3-methoxy-2-pyridinyl)-4-methylphenol
CID 136817093
2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride
CID 140537308
4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine
CID 114054131
4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde
CID 167102927

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine?
The IUPAC name of 2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine (CID 174623320) is 2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine.
What is the SMILES notation for 2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine?
The canonical SMILES for 2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine is [H]/N=C/C(CC)c1ccccc1-c1ncccc1OC.
What is the InChIKey of 2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine?
The InChIKey is AEWIEZOMONENGW-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-12(11-17)13-7-4-5-8-14(13)16-15(19-2)9-6-10-18-16/h4-12,17H,3H2,1-2H3/b17-11+.
What are the key properties of 2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine?
2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine has a molecular weight of 254.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-2-pyridinyl)phenyl]butan-1-imine is sourced from PubChem (CID 174623320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).