2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine

C18H21NO — CID 79229827

IUPAC2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine
SMILESNCC(Cc1ccccc1)CC1COc2ccccc21
InChIInChI=1S/C18H21NO/c19-12-15(10-14-6-2-1-3-7-14)11-16-13-20-18-9-5-4-8-17(16)18/h1-9,15-16H,10-13,19H2
InChIKeyYBCGZZRASNIEKM-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.37
Rot. Bonds5

About 2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine

2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine (PubChem CID 79229827) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine
PubChem CID79229827
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine
SMILESNCC(Cc1ccccc1)CC1COc2ccccc21
InChIInChI=1S/C18H21NO/c19-12-15(10-14-6-2-1-3-7-14)11-16-13-20-18-9-5-4-8-17(16)18/h1-9,15-16H,10-13,19H2
InChIKeyYBCGZZRASNIEKM-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine?
The IUPAC name of 2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine (CID 79229827) is 2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine.
What is the SMILES notation for 2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine?
The canonical SMILES for 2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine is NCC(Cc1ccccc1)CC1COc2ccccc21.
What is the InChIKey of 2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine?
The InChIKey is YBCGZZRASNIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c19-12-15(10-14-6-2-1-3-7-14)11-16-13-20-18-9-5-4-8-17(16)18/h1-9,15-16H,10-13,19H2.
What are the key properties of 2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine?
2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine is sourced from PubChem (CID 79229827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).