N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C16H26N2O — CID 106622760

IUPACN-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCCN(CC1CCCCN1)C1CCCc2occc21
InChIInChI=1S/C16H26N2O/c1-2-18(12-13-6-3-4-10-17-13)15-7-5-8-16-14(15)9-11-19-16/h9,11,13,15,17H,2-8,10,12H2,1H3
InChIKeyOKGILOMDNSIUSE-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.12
Rot. Bonds4

About N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 106622760) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID106622760
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCCN(CC1CCCCN1)C1CCCc2occc21
InChIInChI=1S/C16H26N2O/c1-2-18(12-13-6-3-4-10-17-13)15-7-5-8-16-14(15)9-11-19-16/h9,11,13,15,17H,2-8,10,12H2,1H3
InChIKeyOKGILOMDNSIUSE-UHFFFAOYSA-N
XLogP3.12
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine
CID 113315290
N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106622668
N-ethyl-7-methoxy-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603727
N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603480
N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine
CID 107150035
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
(1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 97162149
N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
CID 107429474
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621678
N-[(3-methylfuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598988
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 106622760) is N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CCN(CC1CCCCN1)C1CCCc2occc21.
What is the InChIKey of N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is OKGILOMDNSIUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-18(12-13-6-3-4-10-17-13)15-7-5-8-16-14(15)9-11-19-16/h9,11,13,15,17H,2-8,10,12H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 106622760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).