2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline

C14H14N2O — CID 24950153

IUPAC2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline
SMILESC/C(=N\Oc1ccccc1)c1ccccc1N
InChIInChI=1S/C14H14N2O/c1-11(13-9-5-6-10-14(13)15)16-17-12-7-3-2-4-8-12/h2-10H,15H2,1H3/b16-11+
InChIKeyPWITTXZJGGDYKN-LFIBNONCSA-N
MW226.28 g/mol
LogP3.07
Rot. Bonds3

About 2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline

2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline (PubChem CID 24950153) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline.

Molecular Properties

Compound Name2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline
PubChem CID24950153
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline
SMILESC/C(=N\Oc1ccccc1)c1ccccc1N
InChIInChI=1S/C14H14N2O/c1-11(13-9-5-6-10-14(13)15)16-17-12-7-3-2-4-8-12/h2-10H,15H2,1H3/b16-11+
InChIKeyPWITTXZJGGDYKN-LFIBNONCSA-N
XLogP3.07
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
(2E)-2-phenoxyiminopropan-1-amine
CID 58684229
CID 172796646
CID 172796646
1-[(E)-1-(2-aminophenyl)ethylideneamino]-3-(4-methoxyphenyl)thiourea
CID 162665226
phenyl 2-acetyl-6-aminobenzoate
CID 58782447
bis(2-aminobenzoic acid);nickel
CID 73156847
2-aminobenzoic acid;azane
CID 21425790
2-aminobenzoic acid;hydrate
CID 70144361
2-[2-(2-aminophenyl)-1,2-diphenylethenyl]aniline
CID 162512010
2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide
CID 54152955
1-iodopropane;2-prop-1-en-2-ylaniline
CID 159191806
(NZ)-N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
CID 5376029

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline?
The IUPAC name of 2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline (CID 24950153) is 2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline.
What is the SMILES notation for 2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline?
The canonical SMILES for 2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline is C/C(=N\Oc1ccccc1)c1ccccc1N.
What is the InChIKey of 2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline?
The InChIKey is PWITTXZJGGDYKN-LFIBNONCSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11(13-9-5-6-10-14(13)15)16-17-12-7-3-2-4-8-12/h2-10H,15H2,1H3/b16-11+.
What are the key properties of 2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline?
2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline has a molecular weight of 226.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline is sourced from PubChem (CID 24950153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).