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

C16H17NO2 — CID 55144052

IUPAC1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C16H17NO2/c1-18-15-4-2-3-11(8-15)16(17)12-5-6-13-9-19-10-14(13)7-12/h2-8,16H,9-10,17H2,1H3
InChIKeyVRQWSNBDVSFZON-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.77
Rot. Bonds3

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

1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine (PubChem CID 55144052) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
PubChem CID55144052
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C16H17NO2/c1-18-15-4-2-3-11(8-15)16(17)12-5-6-13-9-19-10-14(13)7-12/h2-8,16H,9-10,17H2,1H3
InChIKeyVRQWSNBDVSFZON-UHFFFAOYSA-N
XLogP2.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine
CID 105026056
N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine
CID 63019538
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 63021274
1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83044016
4-[amino-(3-methoxyphenyl)methyl]aniline
CID 116936827
(4-iodophenyl)-(3-methoxyphenyl)methanamine
CID 115785175
1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 63019197
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
CID 43115585
[1,3-dihydro-2-benzofuran-5-yl-(3-ethoxyphenyl)methyl]hydrazine
CID 105328022
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine (CID 55144052) is 1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2ccc3c(c2)COC3)c1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine?
The InChIKey is VRQWSNBDVSFZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-15-4-2-3-11(8-15)16(17)12-5-6-13-9-19-10-14(13)7-12/h2-8,16H,9-10,17H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine?
1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine has a molecular weight of 255.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 55144052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).