(3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine

C16H16N2O — CID 63640631

IUPAC(3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine
SMILESCc1ccc2c(C)c(C(N)c3ccccn3)oc2c1
InChIInChI=1S/C16H16N2O/c1-10-6-7-12-11(2)16(19-14(12)9-10)15(17)13-5-3-4-8-18-13/h3-9,15H,17H2,1-2H3
InChIKeyWVDJKRUAEDFAQX-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.49
Rot. Bonds2

About (3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine

(3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine (PubChem CID 63640631) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name(3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine
PubChem CID63640631
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine
SMILESCc1ccc2c(C)c(C(N)c3ccccn3)oc2c1
InChIInChI=1S/C16H16N2O/c1-10-6-7-12-11(2)16(19-14(12)9-10)15(17)13-5-3-4-8-18-13/h3-9,15H,17H2,1-2H3
InChIKeyWVDJKRUAEDFAQX-UHFFFAOYSA-N
XLogP3.49
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

(3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 63640455
(3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine
CID 43149687
[(5-methyl-1-benzofuran-2-yl)-pyridin-2-ylmethyl]hydrazine
CID 105195743
2-(7-methyldibenzofuran-3-yl)pyridine
CID 147853707
6-methyl-3-pyridin-2-yl-1-benzofuran-2-ol
CID 137248609
(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine
CID 43505413
(3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 43505426
(6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
CID 64993209
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine
CID 102949449
(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 43149528
6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran
CID 175426427
2-(6-methyl-1-benzofuran-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 41194976

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine?
The IUPAC name of (3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine (CID 63640631) is (3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine.
What is the SMILES notation for (3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine?
The canonical SMILES for (3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine is Cc1ccc2c(C)c(C(N)c3ccccn3)oc2c1.
What is the InChIKey of (3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine?
The InChIKey is WVDJKRUAEDFAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10-6-7-12-11(2)16(19-14(12)9-10)15(17)13-5-3-4-8-18-13/h3-9,15H,17H2,1-2H3.
What are the key properties of (3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine?
(3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine has a molecular weight of 252.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine is sourced from PubChem (CID 63640631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).