(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine

C17H18N2O — CID 105185391

IUPAC(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3ccc(C)nc3C)cc2c1
InChIInChI=1S/C17H18N2O/c1-10-4-7-15-13(8-10)9-16(20-15)17(18)14-6-5-11(2)19-12(14)3/h4-9,17H,18H2,1-3H3
InChIKeyUCIWPYTWGDCEBQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.80
Rot. Bonds2

About (2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine

(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105185391) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105185391
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3ccc(C)nc3C)cc2c1
InChIInChI=1S/C17H18N2O/c1-10-4-7-15-13(8-10)9-16(20-15)17(18)14-6-5-11(2)19-12(14)3/h4-9,17H,18H2,1-3H3
InChIKeyUCIWPYTWGDCEBQ-UHFFFAOYSA-N
XLogP3.80
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185520
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 82971197
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
(2-bromo-3,4-difluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107538891
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045167
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(6-methyl-2-pyridinyl)methanamine
CID 114728572

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine (CID 105185391) is (2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine is Cc1ccc2oc(C(N)c3ccc(C)nc3C)cc2c1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is UCIWPYTWGDCEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-10-4-7-15-13(8-10)9-16(20-15)17(18)14-6-5-11(2)19-12(14)3/h4-9,17H,18H2,1-3H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 266.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105185391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).