(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine

C17H18N2O — CID 105185520

IUPAC(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc(C(N)c2cc3cccc(C)c3o2)c(C)n1
InChIInChI=1S/C17H18N2O/c1-10-5-4-6-13-9-15(20-17(10)13)16(18)14-8-7-11(2)19-12(14)3/h4-9,16H,18H2,1-3H3
InChIKeyKWPPIYHXJPVUQS-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.80
Rot. Bonds2

About (2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine

(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105185520) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105185520
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc(C(N)c2cc3cccc(C)c3o2)c(C)n1
InChIInChI=1S/C17H18N2O/c1-10-5-4-6-13-9-15(20-17(10)13)16(18)14-8-7-11(2)19-12(14)3/h4-9,16H,18H2,1-3H3
InChIKeyKWPPIYHXJPVUQS-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

(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 106693197
(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine
CID 106755901
(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105185391
(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105185597
(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045635
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine
CID 114222058
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105045627
(4-tert-butylthiadiazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185484

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine (CID 105185520) is (2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine is Cc1ccc(C(N)c2cc3cccc(C)c3o2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is KWPPIYHXJPVUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-10-5-4-6-13-9-15(20-17(10)13)16(18)14-8-7-11(2)19-12(14)3/h4-9,16H,18H2,1-3H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
(2,6-dimethyl-3-pyridinyl)-(7-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)-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105185520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).