N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine

C17H26N2O — CID 79230189

IUPACN-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1CC1COc2ccccc21
InChIInChI=1S/C17H26N2O/c1-2-18-11-15-7-5-6-10-19(15)12-14-13-20-17-9-4-3-8-16(14)17/h3-4,8-9,14-15,18H,2,5-7,10-13H2,1H3
InChIKeySXPUXJBHPYDGSE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.63
Rot. Bonds5

About N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine

N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine (PubChem CID 79230189) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
PubChem CID79230189
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1CC1COc2ccccc21
InChIInChI=1S/C17H26N2O/c1-2-18-11-15-7-5-6-10-19(15)12-14-13-20-17-9-4-3-8-16(14)17/h3-4,8-9,14-15,18H,2,5-7,10-13H2,1H3
InChIKeySXPUXJBHPYDGSE-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 79220883
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 63772288
methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate
CID 115536905
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azepan-2-yl]methanamine
CID 116640577
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine
CID 104769014
ethyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-2-carboxylate
CID 79230459
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methylpiperidine-2-carboxylic acid
CID 107072320
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 79226994
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine
CID 113284538
N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 66419323
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 79230369

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine (CID 79230189) is N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1CC1COc2ccccc21.
What is the InChIKey of N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine?
The InChIKey is SXPUXJBHPYDGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-18-11-15-7-5-6-10-19(15)12-14-13-20-17-9-4-3-8-16(14)17/h3-4,8-9,14-15,18H,2,5-7,10-13H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine?
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 79230189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).