(E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine

C16H16N2 — CID 138969794

IUPAC(E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine
SMILESC/C(=N\N1CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2/c1-13(17-18-11-12-18)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3/b17-13+
InChIKeyAVDTUNHUQRLFQL-GHRIWEEISA-N
MW236.32 g/mol
LogP3.39
Rot. Bonds3

About (E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine

(E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine (PubChem CID 138969794) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine
PubChem CID138969794
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name(E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine
SMILESC/C(=N\N1CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2/c1-13(17-18-11-12-18)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3/b17-13+
InChIKeyAVDTUNHUQRLFQL-GHRIWEEISA-N
XLogP3.39
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 160781047
2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride
CID 54612215
4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
CID 135877641
1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 1353948
4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol
CID 135642166
1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 681522
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
CID 91586903
1-(1-fluoroprop-1-en-2-yl)-4-phenylbenzene
CID 134863084
N-benzyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]aniline
CID 6050760
[1-(4-phenylphenyl)ethylideneamino] methanesulfonate
CID 88574998
ethane;1-(4-phenylphenyl)ethanone
CID 123256888

Frequently Asked Questions

What is the IUPAC name of (E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine?
The IUPAC name of (E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine (CID 138969794) is (E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine.
What is the SMILES notation for (E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine?
The canonical SMILES for (E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine is C/C(=N\N1CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine?
The InChIKey is AVDTUNHUQRLFQL-GHRIWEEISA-N. The full InChI is InChI=1S/C16H16N2/c1-13(17-18-11-12-18)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3/b17-13+.
What are the key properties of (E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine?
(E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine has a molecular weight of 236.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine is sourced from PubChem (CID 138969794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).