(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine

C16H16N2O — CID 106755901

IUPAC(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine
SMILESCc1cc(C(N)c2cc3cccc(C)c3o2)ccn1
InChIInChI=1S/C16H16N2O/c1-10-4-3-5-13-9-14(19-16(10)13)15(17)12-6-7-18-11(2)8-12/h3-9,15H,17H2,1-2H3
InChIKeyDLKWLDXXXNTNBG-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.49
Rot. Bonds2

About (7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine

(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine (PubChem CID 106755901) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine
PubChem CID106755901
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine
SMILESCc1cc(C(N)c2cc3cccc(C)c3o2)ccn1
InChIInChI=1S/C16H16N2O/c1-10-4-3-5-13-9-14(19-16(10)13)15(17)12-6-7-18-11(2)8-12/h3-9,15H,17H2,1-2H3
InChIKeyDLKWLDXXXNTNBG-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

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Related Compounds

N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(2-methyl-4-pyridinyl)methanamine
CID 106755900
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185520
(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 106693197
[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196376
[(7-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756721
(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105185597
(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107946844
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105045627
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine?
The IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine (CID 106755901) is (7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for (7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine?
The canonical SMILES for (7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine is Cc1cc(C(N)c2cc3cccc(C)c3o2)ccn1.
What is the InChIKey of (7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine?
The InChIKey is DLKWLDXXXNTNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10-4-3-5-13-9-14(19-16(10)13)15(17)12-6-7-18-11(2)8-12/h3-9,15H,17H2,1-2H3.
What are the key properties of (7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine?
(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine 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 (7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 106755901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).