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

C13H19NO — CID 22592399

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
SMILESCC(C)(CCN)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO/c1-13(2,6-7-14)11-3-4-12-10(9-11)5-8-15-12/h3-4,9H,5-8,14H2,1-2H3
InChIKeyMDUQJHSAOAUKEL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.25
Rot. Bonds3

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

3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine (PubChem CID 22592399) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
PubChem CID22592399
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
SMILESCC(C)(CCN)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO/c1-13(2,6-7-14)11-3-4-12-10(9-11)5-8-15-12/h3-4,9H,5-8,14H2,1-2H3
InChIKeyMDUQJHSAOAUKEL-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830115
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropane-1-thiol
CID 116866512
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136364
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195630
3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol
CID 79838589
N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine
CID 79830139
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]amino]ethanethiol
CID 115224523
2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine
CID 105426380
3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine
CID 116838573
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine
CID 115119195
1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine
CID 104542207

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine (CID 22592399) is 3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine is CC(C)(CCN)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine?
The InChIKey is MDUQJHSAOAUKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,6-7-14)11-3-4-12-10(9-11)5-8-15-12/h3-4,9H,5-8,14H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 22592399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).