1-[3-(3-ethylphenyl)phenyl]ethanimine

C16H17N — CID 145495072

IUPAC1-[3-(3-ethylphenyl)phenyl]ethanimine
SMILES[H]/N=C(\C)c1cccc(-c2cccc(CC)c2)c1
InChIInChI=1S/C16H17N/c1-3-13-6-4-8-15(10-13)16-9-5-7-14(11-16)12(2)17/h4-11,17H,3H2,1-2H3/b17-12+
InChIKeyQSHDUQIVWNQMMX-SFQUDFHCSA-N
MW223.32 g/mol
LogP4.30
Rot. Bonds3

About 1-[3-(3-ethylphenyl)phenyl]ethanimine

1-[3-(3-ethylphenyl)phenyl]ethanimine (PubChem CID 145495072) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[3-(3-ethylphenyl)phenyl]ethanimine.

Molecular Properties

Compound Name1-[3-(3-ethylphenyl)phenyl]ethanimine
PubChem CID145495072
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name1-[3-(3-ethylphenyl)phenyl]ethanimine
SMILES[H]/N=C(\C)c1cccc(-c2cccc(CC)c2)c1
InChIInChI=1S/C16H17N/c1-3-13-6-4-8-15(10-13)16-9-5-7-14(11-16)12(2)17/h4-11,17H,3H2,1-2H3/b17-12+
InChIKeyQSHDUQIVWNQMMX-SFQUDFHCSA-N
XLogP4.30
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethylphenyl)-N,N-dimethylbenzamide
CID 20651355
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
methyl 3-(4-ethylphenyl)benzenecarboximidate
CID 82292494
1-ethyl-3-phenylbenzene;propane
CID 145466525
1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene
CID 142394585
1-(3-tert-butylphenyl)ethanimine
CID 175635201
1-(3-chlorophenyl)ethanimine;hydrate
CID 162337384
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
4-(3-ethylphenyl)benzamide
CID 54454087
3-[[5-[(3-ethanimidoylphenyl)methoxy]naphthalen-1-yl]oxymethyl]benzenecarboximidamide
CID 143028132
2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol
CID 101303320
ethane;1-phenylethanimine
CID 91121262

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethylphenyl)phenyl]ethanimine?
The IUPAC name of 1-[3-(3-ethylphenyl)phenyl]ethanimine (CID 145495072) is 1-[3-(3-ethylphenyl)phenyl]ethanimine.
What is the SMILES notation for 1-[3-(3-ethylphenyl)phenyl]ethanimine?
The canonical SMILES for 1-[3-(3-ethylphenyl)phenyl]ethanimine is [H]/N=C(\C)c1cccc(-c2cccc(CC)c2)c1.
What is the InChIKey of 1-[3-(3-ethylphenyl)phenyl]ethanimine?
The InChIKey is QSHDUQIVWNQMMX-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17N/c1-3-13-6-4-8-15(10-13)16-9-5-7-14(11-16)12(2)17/h4-11,17H,3H2,1-2H3/b17-12+.
What are the key properties of 1-[3-(3-ethylphenyl)phenyl]ethanimine?
1-[3-(3-ethylphenyl)phenyl]ethanimine has a molecular weight of 223.32 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethylphenyl)phenyl]ethanimine is sourced from PubChem (CID 145495072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).