1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine

C15H16N2O2 — CID 105026056

IUPAC1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C15H16N2O2/c1-18-14-5-12(6-17-7-14)15(16)10-2-3-11-8-19-9-13(11)4-10/h2-7,15H,8-9,16H2,1H3
InChIKeyMYYXSOCMZPSRSO-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.17
Rot. Bonds3

About 1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine

1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine (PubChem CID 105026056) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine
PubChem CID105026056
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C15H16N2O2/c1-18-14-5-12(6-17-7-14)15(16)10-2-3-11-8-19-9-13(11)4-10/h2-7,15H,8-9,16H2,1H3
InChIKeyMYYXSOCMZPSRSO-UHFFFAOYSA-N
XLogP2.17
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
CID 55144052
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025843
1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83044016
(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105026161
1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 63019197
2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
CID 43115585
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 114330272
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methoxyethanamine
CID 105008898
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 63021274
(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025888

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine (CID 105026056) is 1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine is COc1cncc(C(N)c2ccc3c(c2)COC3)c1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine?
The InChIKey is MYYXSOCMZPSRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-18-14-5-12(6-17-7-14)15(16)10-2-3-11-8-19-9-13(11)4-10/h2-7,15H,8-9,16H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine?
1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine has a molecular weight of 256.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105026056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).