N-[(3-aminophenyl)methyl]-N-ethylacetamide

C11H16N2O — CID 39869640

IUPACN-[(3-aminophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1cccc(N)c1)C(C)=O
InChIInChI=1S/C11H16N2O/c1-3-13(9(2)14)8-10-5-4-6-11(12)7-10/h4-7H,3,8,12H2,1-2H3
InChIKeyVPGBTQVDCINHEH-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.64
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-N-ethylacetamide

N-[(3-aminophenyl)methyl]-N-ethylacetamide (PubChem CID 39869640) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethylacetamide
PubChem CID39869640
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1cccc(N)c1)C(C)=O
InChIInChI=1S/C11H16N2O/c1-3-13(9(2)14)8-10-5-4-6-11(12)7-10/h4-7H,3,8,12H2,1-2H3
InChIKeyVPGBTQVDCINHEH-UHFFFAOYSA-N
XLogP1.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethylacetamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethylacetamide (CID 39869640) is N-[(3-aminophenyl)methyl]-N-ethylacetamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethylacetamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethylacetamide is CCN(Cc1cccc(N)c1)C(C)=O.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethylacetamide?
The InChIKey is VPGBTQVDCINHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-13(9(2)14)8-10-5-4-6-11(12)7-10/h4-7H,3,8,12H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethylacetamide?
N-[(3-aminophenyl)methyl]-N-ethylacetamide has a molecular weight of 192.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethylacetamide is sourced from PubChem (CID 39869640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).