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

C13H20ClNO — CID 171202505

IUPAC(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1ccc2c(c1)CCO2.Cl
InChIInChI=1S/C13H19NO.ClH/c1-3-9(2)13(14)11-4-5-12-10(8-11)6-7-15-12;/h4-5,8-9,13H,3,6-7,14H2,1-2H3;1H/t9?,13-;/m1./s1
InChIKeyGJKKOUYKRGIOHY-SXMPBOCKSA-N
MW241.76 g/mol
LogP3.09
Rot. Bonds3

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

(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride (PubChem CID 171202505) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is (1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
PubChem CID171202505
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1ccc2c(c1)CCO2.Cl
InChIInChI=1S/C13H19NO.ClH/c1-3-9(2)13(14)11-4-5-12-10(8-11)6-7-15-12;/h4-5,8-9,13H,3,6-7,14H2,1-2H3;1H/t9?,13-;/m1./s1
InChIKeyGJKKOUYKRGIOHY-SXMPBOCKSA-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

1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpentan-1-amine
CID 43210155
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine
CID 104542714
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine
CID 82984024
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 116942432
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-2-ol;hydrochloride
CID 171268724
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride (CID 171202505) is (1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride is CCC(C)[C@@H](N)c1ccc2c(c1)CCO2.Cl.
What is the InChIKey of (1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride?
The InChIKey is GJKKOUYKRGIOHY-SXMPBOCKSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-3-9(2)13(14)11-4-5-12-10(8-11)6-7-15-12;/h4-5,8-9,13H,3,6-7,14H2,1-2H3;1H/t9?,13-;/m1./s1.
What are the key properties of (1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride?
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-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 (1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171202505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).