1-(1-benzofuran-2-yl)pentan-2-amine

C13H17NO — CID 139946655

IUPAC1-(1-benzofuran-2-yl)pentan-2-amine
SMILESCCCC(N)Cc1cc2ccccc2o1
InChIInChI=1S/C13H17NO/c1-2-5-11(14)9-12-8-10-6-3-4-7-13(10)15-12/h3-4,6-8,11H,2,5,9,14H2,1H3
InChIKeyPICIQHIEODDENW-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.10
Rot. Bonds4

About 1-(1-benzofuran-2-yl)pentan-2-amine

1-(1-benzofuran-2-yl)pentan-2-amine (PubChem CID 139946655) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)pentan-2-amine
PubChem CID139946655
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-(1-benzofuran-2-yl)pentan-2-amine
SMILESCCCC(N)Cc1cc2ccccc2o1
InChIInChI=1S/C13H17NO/c1-2-5-11(14)9-12-8-10-6-3-4-7-13(10)15-12/h3-4,6-8,11H,2,5,9,14H2,1H3
InChIKeyPICIQHIEODDENW-UHFFFAOYSA-N
XLogP3.10
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride
CID 139947537
3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733511
1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride
CID 139947531
1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine
CID 114733291
CID 156725408
CID 156725408
3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 114733525
2-decyl-1-benzofuran
CID 15365265
N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 30734803
1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 115317243
1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine
CID 150642299
1-benzofuran-2-ylmethyl 2-ethylbutanoate
CID 86918284
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)pentan-2-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)pentan-2-amine (CID 139946655) is 1-(1-benzofuran-2-yl)pentan-2-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)pentan-2-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)pentan-2-amine is CCCC(N)Cc1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)pentan-2-amine?
The InChIKey is PICIQHIEODDENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-5-11(14)9-12-8-10-6-3-4-7-13(10)15-12/h3-4,6-8,11H,2,5,9,14H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)pentan-2-amine?
1-(1-benzofuran-2-yl)pentan-2-amine has a molecular weight of 203.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)pentan-2-amine is sourced from PubChem (CID 139946655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).