N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine

C15H21NO2 — CID 65447112

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine
SMILESc1cc2c(cc1CCNC1CCCOC1)CCO2
InChIInChI=1S/C15H21NO2/c1-2-14(11-17-8-1)16-7-5-12-3-4-15-13(10-12)6-9-18-15/h3-4,10,14,16H,1-2,5-9,11H2
InChIKeyQHFQHNGDXQZDGZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.93
Rot. Bonds4

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine (PubChem CID 65447112) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine
PubChem CID65447112
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine
SMILESc1cc2c(cc1CCNC1CCCOC1)CCO2
InChIInChI=1S/C15H21NO2/c1-2-14(11-17-8-1)16-7-5-12-3-4-15-13(10-12)6-9-18-15/h3-4,10,14,16H,1-2,5-9,11H2
InChIKeyQHFQHNGDXQZDGZ-UHFFFAOYSA-N
XLogP1.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 65431601
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,1-dioxothian-4-amine
CID 65431787
N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65308356
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol
CID 104934379
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79870440
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxycyclopentan-1-amine
CID 65446730
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine
CID 65441666
N-(2-pyridin-4-ylethyl)oxan-3-amine
CID 63363456
trans-(1R,2R)-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cycloheptane-1-carboxamide
CID 99633719
(3S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 97055514
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 75428219
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 65444645

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine (CID 65447112) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine is c1cc2c(cc1CCNC1CCCOC1)CCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine?
The InChIKey is QHFQHNGDXQZDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-14(11-17-8-1)16-7-5-12-3-4-15-13(10-12)6-9-18-15/h3-4,10,14,16H,1-2,5-9,11H2.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine has a molecular weight of 247.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine is sourced from PubChem (CID 65447112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).