ethane;1-phenylethanimine

C10H15N — CID 91121262

IUPACethane;1-phenylethanimine
SMILESCC.[H]/N=C(\C)c1ccccc1
InChIInChI=1S/C8H9N.C2H6/c1-7(9)8-5-3-2-4-6-8;1-2/h2-6,9H,1H3;1-2H3/b9-7+;
InChIKeyJIKQVWIARDUUMT-BXTVWIJMSA-N
MW149.24 g/mol
LogP3.10
Rot. Bonds1

About ethane;1-phenylethanimine

ethane;1-phenylethanimine (PubChem CID 91121262) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is ethane;1-phenylethanimine.

Molecular Properties

Compound Nameethane;1-phenylethanimine
PubChem CID91121262
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Nameethane;1-phenylethanimine
SMILESCC.[H]/N=C(\C)c1ccccc1
InChIInChI=1S/C8H9N.C2H6/c1-7(9)8-5-3-2-4-6-8;1-2/h2-6,9H,1H3;1-2H3/b9-7+;
InChIKeyJIKQVWIARDUUMT-BXTVWIJMSA-N
XLogP3.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.10
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

1-(4-methylphenyl)ethanimine;hydrochloride
CID 131845076
1-(4-tert-butylphenyl)ethanimine
CID 20718021
4-ethanimidoylbenzenecarboximidamide
CID 148687988
ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine
CID 144506172
1-(3-tert-butylphenyl)ethanimine
CID 175635201
1-(3-chlorophenyl)ethanimine;hydrate
CID 162337384
1-(4-pyrrol-1-ylphenyl)ethanimine
CID 145051037
[(Z)-1-phenylprop-1-enyl] ethanimidothioate
CID 118227651
methane;1-(4-propan-2-ylphenyl)ethanimine
CID 158544524
1-(4-phenanthren-9-ylphenyl)ethanimine
CID 163584495
ethanimidoyl benzenecarboximidate
CID 130459009
diphenylmethanimine;ethane
CID 145102767

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenylethanimine?
The IUPAC name of ethane;1-phenylethanimine (CID 91121262) is ethane;1-phenylethanimine.
What is the SMILES notation for ethane;1-phenylethanimine?
The canonical SMILES for ethane;1-phenylethanimine is CC.[H]/N=C(\C)c1ccccc1.
What is the InChIKey of ethane;1-phenylethanimine?
The InChIKey is JIKQVWIARDUUMT-BXTVWIJMSA-N. The full InChI is InChI=1S/C8H9N.C2H6/c1-7(9)8-5-3-2-4-6-8;1-2/h2-6,9H,1H3;1-2H3/b9-7+;.
What are the key properties of ethane;1-phenylethanimine?
ethane;1-phenylethanimine has a molecular weight of 149.24 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenylethanimine is sourced from PubChem (CID 91121262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).