N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine

C15H21NO3 — CID 107134417

IUPACN-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OC3CCCOC3)ccc21
InChIInChI=1S/C15H21NO3/c1-2-16-14-10-18-15-8-11(5-6-13(14)15)19-12-4-3-7-17-9-12/h5-6,8,12,14,16H,2-4,7,9-10H2,1H3
InChIKeyHDQFDKYRMGCDRB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.29
Rot. Bonds4

About N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine

N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 107134417) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID107134417
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OC3CCCOC3)ccc21
InChIInChI=1S/C15H21NO3/c1-2-16-14-10-18-15-8-11(5-6-13(14)15)19-12-4-3-7-17-9-12/h5-6,8,12,14,16H,2-4,7,9-10H2,1H3
InChIKeyHDQFDKYRMGCDRB-UHFFFAOYSA-N
XLogP2.29
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64739360
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol
CID 65208377
N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 55219020
6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 79168481
(3S)-3-(4-propylphenoxy)oxane
CID 178142370
N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63095519
N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 64553942
6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096753
N-ethyl-6-(3-ethylsulfonylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 65094225
6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096050
5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile
CID 63095339

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine (CID 107134417) is N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine is CCNC1COc2cc(OC3CCCOC3)ccc21.
What is the InChIKey of N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is HDQFDKYRMGCDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-16-14-10-18-15-8-11(5-6-13(14)15)19-12-4-3-7-17-9-12/h5-6,8,12,14,16H,2-4,7,9-10H2,1H3.
What are the key properties of N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine?
N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 263.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(oxan-3-yloxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 107134417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).