1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine

C14H17NO2 — CID 105033357

IUPAC1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESNC(C1=COCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C14H17NO2/c15-14(12-2-1-5-16-8-12)10-3-4-11-7-17-9-13(11)6-10/h3-4,6,8,14H,1-2,5,7,9,15H2
InChIKeyFWNFVKWNAMIDPP-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.41
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine

1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine (PubChem CID 105033357) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
PubChem CID105033357
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESNC(C1=COCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C14H17NO2/c15-14(12-2-1-5-16-8-12)10-3-4-11-7-17-9-13(11)6-10/h3-4,6,8,14H,1-2,5,7,9,15H2
InChIKeyFWNFVKWNAMIDPP-UHFFFAOYSA-N
XLogP2.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033272
cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 55231459
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 63731423
[4-bromo-3-(trifluoromethyl)phenyl]-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033153
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 63019877
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 82600093
1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine
CID 105000909
(2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 107946680
cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 65018267
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 106657645

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine (CID 105033357) is 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine is NC(C1=COCCC1)c1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine?
The InChIKey is FWNFVKWNAMIDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c15-14(12-2-1-5-16-8-12)10-3-4-11-7-17-9-13(11)6-10/h3-4,6,8,14H,1-2,5,7,9,15H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine?
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine has a molecular weight of 231.29 g/mol, XLogP of 2.41, 2 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(3,4-dihydro-2H-pyran-5-yl)methanamine is sourced from PubChem (CID 105033357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).