5-amino-2-ethoxybenzonitrile

C9H10N2O — CID 25219387

IUPAC5-amino-2-ethoxybenzonitrile
SMILESCCOc1ccc(N)cc1C#N
InChIInChI=1S/C9H10N2O/c1-2-12-9-4-3-8(11)5-7(9)6-10/h3-5H,2,11H2,1H3
InChIKeyRIPHVNUYRKOROW-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.54
Rot. Bonds2

About 5-amino-2-ethoxybenzonitrile

5-amino-2-ethoxybenzonitrile (PubChem CID 25219387) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-amino-2-ethoxybenzonitrile.

Molecular Properties

Compound Name5-amino-2-ethoxybenzonitrile
PubChem CID25219387
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-amino-2-ethoxybenzonitrile
SMILESCCOc1ccc(N)cc1C#N
InChIInChI=1S/C9H10N2O/c1-2-12-9-4-3-8(11)5-7(9)6-10/h3-5H,2,11H2,1H3
InChIKeyRIPHVNUYRKOROW-UHFFFAOYSA-N
XLogP1.54
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Ethoxyaniline
CID 9076
4-Benzyloxyaniline
CID 22860
4-Butyloxyaniline
CID 20352
Benzenamine, 4-(3-methylphenoxy)-
CID 151352
Benzenamine, 4-propoxy-
CID 78221
4-(2-Phenylethoxy)aniline
CID 3026856
3-(Phenoxymethyl)aniline
CID 427435
4-(p-Tolyloxy)aniline
CID 94519
5-Amino-2-methoxybenzotrifluoride
CID 600705
Benzenamine, 4-(octyloxy)-
CID 123490
2-(4-Aminophenoxy)isophthalonitrile
CID 2805873
5-Amino-2-methoxybenzonitrile
CID 4102671

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxybenzonitrile?
The IUPAC name of 5-amino-2-ethoxybenzonitrile (CID 25219387) is 5-amino-2-ethoxybenzonitrile.
What is the SMILES notation for 5-amino-2-ethoxybenzonitrile?
The canonical SMILES for 5-amino-2-ethoxybenzonitrile is CCOc1ccc(N)cc1C#N.
What is the InChIKey of 5-amino-2-ethoxybenzonitrile?
The InChIKey is RIPHVNUYRKOROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-12-9-4-3-8(11)5-7(9)6-10/h3-5H,2,11H2,1H3.
What are the key properties of 5-amino-2-ethoxybenzonitrile?
5-amino-2-ethoxybenzonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxybenzonitrile is sourced from PubChem (CID 25219387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).