N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine

C14H19NO2 — CID 54895838

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
SMILESc1ccc2c(c1)CC(CNC1CCOCC1)O2
InChIInChI=1S/C14H19NO2/c1-2-4-14-11(3-1)9-13(17-14)10-15-12-5-7-16-8-6-12/h1-4,12-13,15H,5-10H2
InChIKeyDDACWUPPQNIKAO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.76
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine (PubChem CID 54895838) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
PubChem CID54895838
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
SMILESc1ccc2c(c1)CC(CNC1CCOCC1)O2
InChIInChI=1S/C14H19NO2/c1-2-4-14-11(3-1)9-13(17-14)10-15-12-5-7-16-8-6-12/h1-4,12-13,15H,5-10H2
InChIKeyDDACWUPPQNIKAO-UHFFFAOYSA-N
XLogP1.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentane-1,3-diamine
CID 79462285
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 66348971
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757393
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine
CID 65073328
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 104585916
[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol
CID 103766545
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine
CID 106469582
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine (CID 54895838) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine is c1ccc2c(c1)CC(CNC1CCOCC1)O2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine?
The InChIKey is DDACWUPPQNIKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-4-14-11(3-1)9-13(17-14)10-15-12-5-7-16-8-6-12/h1-4,12-13,15H,5-10H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine has a molecular weight of 233.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine is sourced from PubChem (CID 54895838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).