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

C13H19NO — CID 43198449

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO/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
InChIKeyVRQJQCMHURMHII-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds3

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

1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine (PubChem CID 43198449) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
PubChem CID43198449
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO/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
InChIKeyVRQJQCMHURMHII-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
CID 171202505
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpentan-1-amine
CID 43210155
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine
CID 104542714
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
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
2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 116942432
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine (CID 43198449) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine is CCC(C)C(N)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine?
The InChIKey is VRQJQCMHURMHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/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.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.67, 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)-2-methylbutan-1-amine is sourced from PubChem (CID 43198449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).