(4-aminophenyl) ethanimidate

C8H10N2O — CID 145343014

IUPAC(4-aminophenyl) ethanimidate
SMILES[H]/N=C(\C)Oc1ccc(N)cc1
InChIInChI=1S/C8H10N2O/c1-6(9)11-8-4-2-7(10)3-5-8/h2-5,9H,10H2,1H3/b9-6+
InChIKeyBAILXBPQVVZTJC-RMKNXTFCSA-N
MW150.18 g/mol
LogP1.64
Rot. Bonds1

About (4-aminophenyl) ethanimidate

(4-aminophenyl) ethanimidate (PubChem CID 145343014) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (4-aminophenyl) ethanimidate.

Molecular Properties

Compound Name(4-aminophenyl) ethanimidate
PubChem CID145343014
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(4-aminophenyl) ethanimidate
SMILES[H]/N=C(\C)Oc1ccc(N)cc1
InChIInChI=1S/C8H10N2O/c1-6(9)11-8-4-2-7(10)3-5-8/h2-5,9H,10H2,1H3/b9-6+
InChIKeyBAILXBPQVVZTJC-RMKNXTFCSA-N
XLogP1.64
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-aminophenyl) acetate;nitrous acid
CID 174579192
(4-methylphenyl) carbamimidate
CID 44562278
(4-aminophenyl) N,N-dimethylcarbamate
CID 21427559
(4-aminophenyl) 2-methylpropanoate;hydrochloride
CID 174366284
O-(4-aminophenyl) chloromethanethioate
CID 153358322
4-aminobenzenecarboximidamide;ethane
CID 142339418
(4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate
CID 165064391
4-(4-aminophenoxy)aniline
CID 161415647
ethane;4-methoxyaniline
CID 144603339
4-methoxyaniline;hydrobromide
CID 518270
(4-aminophenyl) (E)-3-(4-acetyloxyphenyl)prop-2-enoate
CID 146213732
(4-aminophenyl) decyl carbonate
CID 139745082

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) ethanimidate?
The IUPAC name of (4-aminophenyl) ethanimidate (CID 145343014) is (4-aminophenyl) ethanimidate.
What is the SMILES notation for (4-aminophenyl) ethanimidate?
The canonical SMILES for (4-aminophenyl) ethanimidate is [H]/N=C(\C)Oc1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl) ethanimidate?
The InChIKey is BAILXBPQVVZTJC-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6(9)11-8-4-2-7(10)3-5-8/h2-5,9H,10H2,1H3/b9-6+.
What are the key properties of (4-aminophenyl) ethanimidate?
(4-aminophenyl) ethanimidate has a molecular weight of 150.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) ethanimidate is sourced from PubChem (CID 145343014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).