(3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine

C16H16N2O2 — CID 79169677

IUPAC(3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine
SMILESCOc1cccc(C(N)c2cc3nc(C)ccc3o2)c1
InChIInChI=1S/C16H16N2O2/c1-10-6-7-14-13(18-10)9-15(20-14)16(17)11-4-3-5-12(8-11)19-2/h3-9,16H,17H2,1-2H3
InChIKeyYRQGKOHYTOQCTD-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.19
Rot. Bonds3

About (3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine

(3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine (PubChem CID 79169677) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine.

Molecular Properties

Compound Name(3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine
PubChem CID79169677
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine
SMILESCOc1cccc(C(N)c2cc3nc(C)ccc3o2)c1
InChIInChI=1S/C16H16N2O2/c1-10-6-7-14-13(18-10)9-15(20-14)16(17)11-4-3-5-12(8-11)19-2/h3-9,16H,17H2,1-2H3
InChIKeyYRQGKOHYTOQCTD-UHFFFAOYSA-N
XLogP3.19
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethylfuran-2-yl)-(3-methoxyphenyl)methanamine
CID 55061699
(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43197723
(2,4-difluorophenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine
CID 79168933
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
4-[amino-(3-methoxyphenyl)methyl]aniline
CID 116936827
3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine
CID 102696662
(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 63989775
isoquinolin-5-yl-(3-methoxyphenyl)methanamine
CID 62813526
(4-iodophenyl)-(3-methoxyphenyl)methanamine
CID 115785175
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine
CID 102949451
(3-fluoro-4-methylphenyl)-(3-methoxyphenyl)methanamine
CID 60819510
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine
CID 43559879

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine?
The IUPAC name of (3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine (CID 79169677) is (3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine.
What is the SMILES notation for (3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine?
The canonical SMILES for (3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine is COc1cccc(C(N)c2cc3nc(C)ccc3o2)c1.
What is the InChIKey of (3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine?
The InChIKey is YRQGKOHYTOQCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-6-7-14-13(18-10)9-15(20-14)16(17)11-4-3-5-12(8-11)19-2/h3-9,16H,17H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine?
(3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine has a molecular weight of 268.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine is sourced from PubChem (CID 79169677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).