N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine

C17H26N2O — CID 106701023

IUPACN-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NC2c3ccccc3OC2(C)C)C1
InChIInChI=1S/C17H26N2O/c1-4-19-11-7-8-13(12-19)18-16-14-9-5-6-10-15(14)20-17(16,2)3/h5-6,9-10,13,16,18H,4,7-8,11-12H2,1-3H3
InChIKeyVEODTHQTRSYZHP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.97
Rot. Bonds3

About N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine

N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine (PubChem CID 106701023) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine
PubChem CID106701023
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NC2c3ccccc3OC2(C)C)C1
InChIInChI=1S/C17H26N2O/c1-4-19-11-7-8-13(12-19)18-16-14-9-5-6-10-15(14)20-17(16,2)3/h5-6,9-10,13,16,18H,4,7-8,11-12H2,1-3H3
InChIKeyVEODTHQTRSYZHP-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-1-ethylpiperidin-3-amine
CID 61170368
2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine
CID 106701264
N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
CID 21482830
N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
CID 21482821
1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine
CID 21482885
1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine
CID 21482838
N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701101
N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701175
1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709485
(4R)-1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104946207
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701163
1-benzyl-N-(2,2-dimethylcyclopentyl)piperidin-3-amine
CID 79865795

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine?
The IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine (CID 106701023) is N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine?
The canonical SMILES for N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine is CCN1CCCC(NC2c3ccccc3OC2(C)C)C1.
What is the InChIKey of N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine?
The InChIKey is VEODTHQTRSYZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-19-11-7-8-13(12-19)18-16-14-9-5-6-10-15(14)20-17(16,2)3/h5-6,9-10,13,16,18H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine?
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine is sourced from PubChem (CID 106701023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).