1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride

C11H14ClNO — CID 42935472

IUPAC1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride
SMILESCc1c(C(C)N)oc2ccccc12.Cl
InChIInChI=1S/C11H13NO.ClH/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12;/h3-6,8H,12H2,1-2H3;1H
InChIKeyCWDWJEXBFDNUOR-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.18
Rot. Bonds1

About 1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride

1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride (PubChem CID 42935472) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride
PubChem CID42935472
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride
SMILESCc1c(C(C)N)oc2ccccc12.Cl
InChIInChI=1S/C11H13NO.ClH/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12;/h3-6,8H,12H2,1-2H3;1H
InChIKeyCWDWJEXBFDNUOR-UHFFFAOYSA-N
XLogP3.18
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride (CID 42935472) is 1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride is Cc1c(C(C)N)oc2ccccc12.Cl.
What is the InChIKey of 1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride?
The InChIKey is CWDWJEXBFDNUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.ClH/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12;/h3-6,8H,12H2,1-2H3;1H.
What are the key properties of 1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride?
1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride has a molecular weight of 211.69 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-benzofuran-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 42935472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).