N-ethylaniline;formamide

C9H14N2O — CID 174905180

IUPACN-ethylaniline;formamide
SMILESCCNc1ccccc1.NC=O
InChIInChI=1S/C8H11N.CH3NO/c1-2-9-8-6-4-3-5-7-8;2-1-3/h3-7,9H,2H2,1H3;1H,(H2,2,3)
InChIKeyAJQHEPILNGGQMG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.22
Rot. Bonds2

About N-ethylaniline;formamide

N-ethylaniline;formamide (PubChem CID 174905180) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-ethylaniline;formamide.

Molecular Properties

Compound NameN-ethylaniline;formamide
PubChem CID174905180
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-ethylaniline;formamide
SMILESCCNc1ccccc1.NC=O
InChIInChI=1S/C8H11N.CH3NO/c1-2-9-8-6-4-3-5-7-8;2-1-3/h3-7,9H,2H2,1H3;1H,(H2,2,3)
InChIKeyAJQHEPILNGGQMG-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethylaniline;formamide?
The IUPAC name of N-ethylaniline;formamide (CID 174905180) is N-ethylaniline;formamide.
What is the SMILES notation for N-ethylaniline;formamide?
The canonical SMILES for N-ethylaniline;formamide is CCNc1ccccc1.NC=O.
What is the InChIKey of N-ethylaniline;formamide?
The InChIKey is AJQHEPILNGGQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.CH3NO/c1-2-9-8-6-4-3-5-7-8;2-1-3/h3-7,9H,2H2,1H3;1H,(H2,2,3).
What are the key properties of N-ethylaniline;formamide?
N-ethylaniline;formamide has a molecular weight of 166.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylaniline;formamide is sourced from PubChem (CID 174905180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).