[6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine

C15H14N2O — CID 115113579

IUPAC[6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
SMILESCc1cccc2oc(-c3ccc(CN)cn3)cc12
InChIInChI=1S/C15H14N2O/c1-10-3-2-4-14-12(10)7-15(18-14)13-6-5-11(8-16)9-17-13/h2-7,9H,8,16H2,1H3
InChIKeyKYOKJEHMRJRXII-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.26
Rot. Bonds2

About [6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine

[6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine (PubChem CID 115113579) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is [6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
PubChem CID115113579
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name[6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
SMILESCc1cccc2oc(-c3ccc(CN)cn3)cc12
InChIInChI=1S/C15H14N2O/c1-10-3-2-4-14-12(10)7-15(18-14)13-6-5-11(8-16)9-17-13/h2-7,9H,8,16H2,1H3
InChIKeyKYOKJEHMRJRXII-UHFFFAOYSA-N
XLogP3.26
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(6-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
CID 115110735
[6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81098943
[6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81099704
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
5-(aminomethyl)-N-(2,6-dimethylphenyl)pyridin-2-amine
CID 82288077
[6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81100047
(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
[6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine
CID 115113590
methyl 4-methyl-1-benzofuran-2-carboxylate
CID 165463716
[4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine
CID 116987372
[6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81098637
[6-[(2-fluoro-3-methylphenoxy)methyl]-3-pyridinyl]methanamine
CID 107661220

Frequently Asked Questions

What is the IUPAC name of [6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine (CID 115113579) is [6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine is Cc1cccc2oc(-c3ccc(CN)cn3)cc12.
What is the InChIKey of [6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine?
The InChIKey is KYOKJEHMRJRXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-3-2-4-14-12(10)7-15(18-14)13-6-5-11(8-16)9-17-13/h2-7,9H,8,16H2,1H3.
What are the key properties of [6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine?
[6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine has a molecular weight of 238.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 115113579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).