2-ethoxyaniline;molecular hydrogen

C8H13NO — CID 144877970

IUPAC2-ethoxyaniline;molecular hydrogen
SMILESCCOc1ccccc1N.[H][H]
InChIInChI=1S/C8H11NO.H2/c1-2-10-8-6-4-3-5-7(8)9;/h3-6H,2,9H2,1H3;1H
InChIKeyOOTXEPFETGDIPR-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.91
Rot. Bonds2

About 2-ethoxyaniline;molecular hydrogen

2-ethoxyaniline;molecular hydrogen (PubChem CID 144877970) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-ethoxyaniline;molecular hydrogen.

Molecular Properties

Compound Name2-ethoxyaniline;molecular hydrogen
PubChem CID144877970
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-ethoxyaniline;molecular hydrogen
SMILESCCOc1ccccc1N.[H][H]
InChIInChI=1S/C8H11NO.H2/c1-2-10-8-6-4-3-5-7(8)9;/h3-6H,2,9H2,1H3;1H
InChIKeyOOTXEPFETGDIPR-UHFFFAOYSA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyaniline;propan-2-one
CID 517004
2,5-dichloroaniline;2-ethoxyaniline
CID 19102396
2-octoxyaniline
CID 14747235
(2-aminophenoxy)methanol
CID 22976615
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
2-(methylsulfanylmethoxy)aniline
CID 71337574
3-ethoxy-2-propan-2-ylaniline
CID 154678316
2-(2-ethoxyphenoxy)-4-methylaniline
CID 26189556
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine
CID 54363080

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyaniline;molecular hydrogen?
The IUPAC name of 2-ethoxyaniline;molecular hydrogen (CID 144877970) is 2-ethoxyaniline;molecular hydrogen.
What is the SMILES notation for 2-ethoxyaniline;molecular hydrogen?
The canonical SMILES for 2-ethoxyaniline;molecular hydrogen is CCOc1ccccc1N.[H][H].
What is the InChIKey of 2-ethoxyaniline;molecular hydrogen?
The InChIKey is OOTXEPFETGDIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.H2/c1-2-10-8-6-4-3-5-7(8)9;/h3-6H,2,9H2,1H3;1H.
What are the key properties of 2-ethoxyaniline;molecular hydrogen?
2-ethoxyaniline;molecular hydrogen has a molecular weight of 139.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyaniline;molecular hydrogen is sourced from PubChem (CID 144877970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).