4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline

C18H22N2O — CID 66346823

IUPAC4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline
SMILESCCN(CC1Cc2ccccc2O1)c1ccc(CN)cc1
InChIInChI=1S/C18H22N2O/c1-2-20(16-9-7-14(12-19)8-10-16)13-17-11-15-5-3-4-6-18(15)21-17/h3-10,17H,2,11-13,19H2,1H3
InChIKeyVAIINLTZINWQHG-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.98
Rot. Bonds5

About 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline

4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline (PubChem CID 66346823) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline
PubChem CID66346823
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline
SMILESCCN(CC1Cc2ccccc2O1)c1ccc(CN)cc1
InChIInChI=1S/C18H22N2O/c1-2-20(16-9-7-14(12-19)8-10-16)13-17-11-15-5-3-4-6-18(15)21-17/h3-10,17H,2,11-13,19H2,1H3
InChIKeyVAIINLTZINWQHG-UHFFFAOYSA-N
XLogP2.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline?
The IUPAC name of 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline (CID 66346823) is 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline is CCN(CC1Cc2ccccc2O1)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline?
The InChIKey is VAIINLTZINWQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-20(16-9-7-14(12-19)8-10-16)13-17-11-15-5-3-4-6-18(15)21-17/h3-10,17H,2,11-13,19H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline?
4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline has a molecular weight of 282.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline is sourced from PubChem (CID 66346823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).