N-benzyl-2-(4-methoxyphenyl)ethanimine

C16H17NO — CID 71336415

IUPACN-benzyl-2-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(C/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-18-16-9-7-14(8-10-16)11-12-17-13-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3/b17-12+
InChIKeyVNUSSLGIVJWRSN-SFQUDFHCSA-N
MW239.32 g/mol
LogP3.51
Rot. Bonds5

About N-benzyl-2-(4-methoxyphenyl)ethanimine

N-benzyl-2-(4-methoxyphenyl)ethanimine (PubChem CID 71336415) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyphenyl)ethanimine.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyphenyl)ethanimine
PubChem CID71336415
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-benzyl-2-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(C/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-18-16-9-7-14(8-10-16)11-12-17-13-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3/b17-12+
InChIKeyVNUSSLGIVJWRSN-SFQUDFHCSA-N
XLogP3.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.51
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

N-benzyl-2-naphthalen-2-ylethanimine
CID 139964644
2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine
CID 118455718
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
N-[(4-methoxyphenyl)methyl]but-2-yn-1-imine
CID 101448432
1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
CID 101240761
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene
CID 138974571
N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide
CID 142987862

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyphenyl)ethanimine?
The IUPAC name of N-benzyl-2-(4-methoxyphenyl)ethanimine (CID 71336415) is N-benzyl-2-(4-methoxyphenyl)ethanimine.
What is the SMILES notation for N-benzyl-2-(4-methoxyphenyl)ethanimine?
The canonical SMILES for N-benzyl-2-(4-methoxyphenyl)ethanimine is COc1ccc(C/C=N/Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyphenyl)ethanimine?
The InChIKey is VNUSSLGIVJWRSN-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17NO/c1-18-16-9-7-14(8-10-16)11-12-17-13-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3/b17-12+.
What are the key properties of N-benzyl-2-(4-methoxyphenyl)ethanimine?
N-benzyl-2-(4-methoxyphenyl)ethanimine has a molecular weight of 239.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyphenyl)ethanimine is sourced from PubChem (CID 71336415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).