N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride

C11H16ClNO — CID 46736946

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride
SMILESCCNCC1Cc2ccccc2O1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10;/h3-6,10,12H,2,7-8H2,1H3;1H
InChIKeyWJOUGRRZVNMMON-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.02
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride (PubChem CID 46736946) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride
PubChem CID46736946
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride
SMILESCCNCC1Cc2ccccc2O1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10;/h3-6,10,12H,2,7-8H2,1H3;1H
InChIKeyWJOUGRRZVNMMON-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride (CID 46736946) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride is CCNCC1Cc2ccccc2O1.Cl.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride?
The InChIKey is WJOUGRRZVNMMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10;/h3-6,10,12H,2,7-8H2,1H3;1H.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 46736946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).