4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline

C17H18N2O — CID 117041671

IUPAC4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline
SMILESCN(Cc1coc2ccccc12)c1ccc(CN)cc1
InChIInChI=1S/C17H18N2O/c1-19(15-8-6-13(10-18)7-9-15)11-14-12-20-17-5-3-2-4-16(14)17/h2-9,12H,10-11,18H2,1H3
InChIKeyKANHVHBZSRXWII-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.53
Rot. Bonds4

About 4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline

4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline (PubChem CID 117041671) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline
PubChem CID117041671
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline
SMILESCN(Cc1coc2ccccc12)c1ccc(CN)cc1
InChIInChI=1S/C17H18N2O/c1-19(15-8-6-13(10-18)7-9-15)11-14-12-20-17-5-3-2-4-16(14)17/h2-9,12H,10-11,18H2,1H3
InChIKeyKANHVHBZSRXWII-UHFFFAOYSA-N
XLogP3.53
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline (CID 117041671) is 4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline is CN(Cc1coc2ccccc12)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline?
The InChIKey is KANHVHBZSRXWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19(15-8-6-13(10-18)7-9-15)11-14-12-20-17-5-3-2-4-16(14)17/h2-9,12H,10-11,18H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline?
4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline has a molecular weight of 266.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline is sourced from PubChem (CID 117041671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).