2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine

C17H26N2O — CID 64508815

IUPAC2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(N)C1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C17H26N2O/c1-4-19-10-6-9-14(18)15(19)13-8-5-7-12-11-17(2,3)20-16(12)13/h5,7-8,14-15H,4,6,9-11,18H2,1-3H3
InChIKeyYTEGEPNAKDTPOS-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.88
Rot. Bonds2

About 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine (PubChem CID 64508815) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine
PubChem CID64508815
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(N)C1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C17H26N2O/c1-4-19-10-6-9-14(18)15(19)13-8-5-7-12-11-17(2,3)20-16(12)13/h5,7-8,14-15H,4,6,9-11,18H2,1-3H3
InChIKeyYTEGEPNAKDTPOS-UHFFFAOYSA-N
XLogP2.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CP-100263
CID 9796216
CP-99994
CID 5311057
1-(2-(2-Ethoxyphenyl)-1-phenylethyl)piperazine
CID 11289879
1-(2-(2-Methoxyphenyl)-1-phenylethyl)piperazine
CID 44414722
1-(1-Phenyl-2-(2-propoxyphenyl)ethyl)piperazine
CID 44414723
(2S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 105083
(2-Isopropoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 10268178
(R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine hydrochloride
CID 16043230
(2S,3S)-2-(3,5-ditritiophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 71450958
1-(2-(2-Ethoxyphenyl)-1-(3-fluorophenyl)ethyl)piperazine
CID 44414691
1-(2-(2-Ethoxyphenyl)-1-(4-fluorophenyl)ethyl)piperazine
CID 44414704
1-(1-Phenyl-2-(2-(2,2,2-trifluoroethoxy)phenyl)ethyl)piperazine
CID 44414734

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine?
The IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine (CID 64508815) is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine?
The canonical SMILES for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine is CCN1CCCC(N)C1c1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine?
The InChIKey is YTEGEPNAKDTPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-19-10-6-9-14(18)15(19)13-8-5-7-12-11-17(2,3)20-16(12)13/h5,7-8,14-15H,4,6,9-11,18H2,1-3H3.
What are the key properties of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine?
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine is sourced from PubChem (CID 64508815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).