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

C14H21NO — CID 79229508

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine
SMILESCCC(CNC)CC1COc2ccccc21
InChIInChI=1S/C14H21NO/c1-3-11(9-15-2)8-12-10-16-14-7-5-4-6-13(12)14/h4-7,11-12,15H,3,8-10H2,1-2H3
InChIKeyJEFWMTVSFSNNMB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.80
Rot. Bonds5

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

2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine (PubChem CID 79229508) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine
PubChem CID79229508
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine
SMILESCCC(CNC)CC1COc2ccccc21
InChIInChI=1S/C14H21NO/c1-3-11(9-15-2)8-12-10-16-14-7-5-4-6-13(12)14/h4-7,11-12,15H,3,8-10H2,1-2H3
InChIKeyJEFWMTVSFSNNMB-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine (CID 79229508) is 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine is CCC(CNC)CC1COc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine?
The InChIKey is JEFWMTVSFSNNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-11(9-15-2)8-12-10-16-14-7-5-4-6-13(12)14/h4-7,11-12,15H,3,8-10H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine?
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine is sourced from PubChem (CID 79229508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).