N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

C16H24N2O — CID 79226994

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESc1ccc2c(c1)OCC2CNCCCN1CCCC1
InChIInChI=1S/C16H24N2O/c1-2-7-16-15(6-1)14(13-19-16)12-17-8-5-11-18-9-3-4-10-18/h1-2,6-7,14,17H,3-5,8-13H2
InChIKeyBJFWRUYLJXUGTE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.24
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79226994) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID79226994
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESc1ccc2c(c1)OCC2CNCCCN1CCCC1
InChIInChI=1S/C16H24N2O/c1-2-7-16-15(6-1)14(13-19-16)12-17-8-5-11-18-9-3-4-10-18/h1-2,6-7,14,17H,3-5,8-13H2
InChIKeyBJFWRUYLJXUGTE-UHFFFAOYSA-N
XLogP2.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
CID 107320375
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
CID 79225953
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,4-diazepane
CID 80668167
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 79226749
2-[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]ethanamine
CID 79226330
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 79226994) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is c1ccc2c(c1)OCC2CNCCCN1CCCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is BJFWRUYLJXUGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-7-16-15(6-1)14(13-19-16)12-17-8-5-11-18-9-3-4-10-18/h1-2,6-7,14,17H,3-5,8-13H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79226994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).