1-(1-benzofuran-5-yl)-N-methylbutan-2-amine

C13H17NO — CID 139033209

IUPAC1-(1-benzofuran-5-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1ccc2occc2c1)NC
InChIInChI=1S/C13H17NO/c1-3-12(14-2)9-10-4-5-13-11(8-10)6-7-15-13/h4-8,12,14H,3,9H2,1-2H3
InChIKeyCTEZPBCLIKEASW-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.97
Rot. Bonds4

About 1-(1-benzofuran-5-yl)-N-methylbutan-2-amine

1-(1-benzofuran-5-yl)-N-methylbutan-2-amine (PubChem CID 139033209) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(1-benzofuran-5-yl)-N-methylbutan-2-amine
PubChem CID139033209
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(1-benzofuran-5-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1ccc2occc2c1)NC
InChIInChI=1S/C13H17NO/c1-3-12(14-2)9-10-4-5-13-11(8-10)6-7-15-13/h4-8,12,14H,3,9H2,1-2H3
InChIKeyCTEZPBCLIKEASW-UHFFFAOYSA-N
XLogP2.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(1-benzofuran-5-yl)-N-methylbutan-2-amine (CID 139033209) is 1-(1-benzofuran-5-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(1-benzofuran-5-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(1-benzofuran-5-yl)-N-methylbutan-2-amine is CCC(Cc1ccc2occc2c1)NC.
What is the InChIKey of 1-(1-benzofuran-5-yl)-N-methylbutan-2-amine?
The InChIKey is CTEZPBCLIKEASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-12(14-2)9-10-4-5-13-11(8-10)6-7-15-13/h4-8,12,14H,3,9H2,1-2H3.
What are the key properties of 1-(1-benzofuran-5-yl)-N-methylbutan-2-amine?
1-(1-benzofuran-5-yl)-N-methylbutan-2-amine has a molecular weight of 203.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 139033209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).