1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride

C13H20ClNO — CID 86262999

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)CC(N)c1ccc2c(c1)CCO2.Cl
InChIInChI=1S/C13H19NO.ClH/c1-9(2)7-12(14)10-3-4-13-11(8-10)5-6-15-13;/h3-4,8-9,12H,5-7,14H2,1-2H3;1H
InChIKeyXVQRABCNZBLKCL-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.09
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride

1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 86262999) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
PubChem CID86262999
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)CC(N)c1ccc2c(c1)CCO2.Cl
InChIInChI=1S/C13H19NO.ClH/c1-9(2)7-12(14)10-3-4-13-11(8-10)5-6-15-13;/h3-4,8-9,12H,5-7,14H2,1-2H3;1H
InChIKeyXVQRABCNZBLKCL-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 171202488
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
CID 171202505
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
methyl (3S)-3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoate;hydrochloride
CID 171240480
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpentan-2-amine
CID 43775759
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride (CID 86262999) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride is CC(C)CC(N)c1ccc2c(c1)CCO2.Cl.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is XVQRABCNZBLKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-9(2)7-12(14)10-3-4-13-11(8-10)5-6-15-13;/h3-4,8-9,12H,5-7,14H2,1-2H3;1H.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 86262999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).