N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine

C16H24N2O — CID 115211376

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine
SMILESc1cc2c(cc1CNCCC1CCCNC1)CCO2
InChIInChI=1S/C16H24N2O/c1-2-13(11-17-7-1)5-8-18-12-14-3-4-16-15(10-14)6-9-19-16/h3-4,10,13,17-18H,1-2,5-9,11-12H2
InChIKeyGDWDUWKYIXMMDW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.10
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine (PubChem CID 115211376) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine
PubChem CID115211376
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine
SMILESc1cc2c(cc1CNCCC1CCCNC1)CCO2
InChIInChI=1S/C16H24N2O/c1-2-13(11-17-7-1)5-8-18-12-14-3-4-16-15(10-14)6-9-19-16/h3-4,10,13,17-18H,1-2,5-9,11-12H2
InChIKeyGDWDUWKYIXMMDW-UHFFFAOYSA-N
XLogP2.10
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
CID 65446309
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 115211290
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 106623790
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine
CID 115238964
3-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperidine
CID 84785524
2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine
CID 115211361
N-[(3-bromo-4-methoxyphenyl)methyl]-2-piperidin-3-ylethanamine
CID 115211362
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
CID 115159530
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210742
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine (CID 115211376) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine is c1cc2c(cc1CNCCC1CCCNC1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine?
The InChIKey is GDWDUWKYIXMMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-13(11-17-7-1)5-8-18-12-14-3-4-16-15(10-14)6-9-19-16/h3-4,10,13,17-18H,1-2,5-9,11-12H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine is sourced from PubChem (CID 115211376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).