2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine

C21H18N2O2 — CID 67751817

IUPAC2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine
SMILESCOc1ccccc1-c1ncccc1C(N)c1occ2ccccc12
InChIInChI=1S/C21H18N2O2/c1-24-18-11-5-4-9-16(18)20-17(10-6-12-23-20)19(22)21-15-8-3-2-7-14(15)13-25-21/h2-13,19H,22H2,1H3
InChIKeyVPFBXSBDZLGBQH-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.55
Rot. Bonds4

About 2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine

2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine (PubChem CID 67751817) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine
PubChem CID67751817
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine
SMILESCOc1ccccc1-c1ncccc1C(N)c1occ2ccccc12
InChIInChI=1S/C21H18N2O2/c1-24-18-11-5-4-9-16(18)20-17(10-6-12-23-20)19(22)21-15-8-3-2-7-14(15)13-25-21/h2-13,19H,22H2,1H3
InChIKeyVPFBXSBDZLGBQH-UHFFFAOYSA-N
XLogP4.55
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine
CID 105423275
(1R)-1-(2-benzofuran-1-yl)ethanamine
CID 96736222
2-benzofuran-1-yl-[2-methoxy-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]phenyl]methanamine
CID 67753440
2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride
CID 140537308
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379
(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105174775
(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 114056631
2-(2,3-dimethoxyphenyl)pyridin-3-amine
CID 82794174
3-(2-methoxyphenyl)pyridine-2-carbaldehyde
CID 86594750
1-(2-methoxyphenyl)-3-naphthalen-1-yloxypropan-1-amine
CID 19884989
3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 141182116
2-(2,3-dichlorophenyl)-3-methoxypyridine
CID 90122655

Frequently Asked Questions

What is the IUPAC name of 2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine?
The IUPAC name of 2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine (CID 67751817) is 2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine.
What is the SMILES notation for 2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine?
The canonical SMILES for 2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine is COc1ccccc1-c1ncccc1C(N)c1occ2ccccc12.
What is the InChIKey of 2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine?
The InChIKey is VPFBXSBDZLGBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-18-11-5-4-9-16(18)20-17(10-6-12-23-20)19(22)21-15-8-3-2-7-14(15)13-25-21/h2-13,19H,22H2,1H3.
What are the key properties of 2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine?
2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine has a molecular weight of 330.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran-1-yl-[2-(2-methoxyphenyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 67751817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).