[2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine

C13H17NO — CID 84671699

IUPAC[2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine
SMILESCC(C)Cc1cc2ccc(CN)cc2o1
InChIInChI=1S/C13H17NO/c1-9(2)5-12-7-11-4-3-10(8-14)6-13(11)15-12/h3-4,6-7,9H,5,8,14H2,1-2H3
InChIKeyXMUUNICCOUYQAT-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.09
Rot. Bonds3

About [2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine

[2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine (PubChem CID 84671699) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is [2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine
PubChem CID84671699
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name[2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine
SMILESCC(C)Cc1cc2ccc(CN)cc2o1
InChIInChI=1S/C13H17NO/c1-9(2)5-12-7-11-4-3-10(8-14)6-13(11)15-12/h3-4,6-7,9H,5,8,14H2,1-2H3
InChIKeyXMUUNICCOUYQAT-UHFFFAOYSA-N
XLogP3.09
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine
CID 117179209
(2-ethyl-1-benzofuran-5-yl)methanamine
CID 82411118
methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate
CID 84778259
[2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine
CID 117179218
3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine
CID 83902804
3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733511
[5-(2-methylpropyl)furan-2-yl]methanamine
CID 83815402
2-(aminomethyl)-1-benzofuran-6-amine
CID 45122675
(2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine
CID 82357425
[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
ethyl 3-[6-(aminomethyl)-1-benzofuran-2-yl]-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propanoate
CID 10454142
[2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine
CID 117175838

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine?
The IUPAC name of [2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine (CID 84671699) is [2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine.
What is the SMILES notation for [2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine?
The canonical SMILES for [2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine is CC(C)Cc1cc2ccc(CN)cc2o1.
What is the InChIKey of [2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine?
The InChIKey is XMUUNICCOUYQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)5-12-7-11-4-3-10(8-14)6-13(11)15-12/h3-4,6-7,9H,5,8,14H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine?
[2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine has a molecular weight of 203.28 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 [2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine is sourced from PubChem (CID 84671699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).