(2-ethyl-1-benzofuran-5-yl)methanamine

C11H13NO — CID 82411118

IUPAC(2-ethyl-1-benzofuran-5-yl)methanamine
SMILESCCc1cc2cc(CN)ccc2o1
InChIInChI=1S/C11H13NO/c1-2-10-6-9-5-8(7-12)3-4-11(9)13-10/h3-6H,2,7,12H2,1H3
InChIKeyYKICUFMZLIMMLV-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.45
Rot. Bonds2

About (2-ethyl-1-benzofuran-5-yl)methanamine

(2-ethyl-1-benzofuran-5-yl)methanamine (PubChem CID 82411118) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (2-ethyl-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-1-benzofuran-5-yl)methanamine
PubChem CID82411118
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(2-ethyl-1-benzofuran-5-yl)methanamine
SMILESCCc1cc2cc(CN)ccc2o1
InChIInChI=1S/C11H13NO/c1-2-10-6-9-5-8(7-12)3-4-11(9)13-10/h3-6H,2,7,12H2,1H3
InChIKeyYKICUFMZLIMMLV-UHFFFAOYSA-N
XLogP2.45
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine
CID 117175838
(5-ethyl-1-benzofuran-2-yl)methanol
CID 65439757
[2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine
CID 84671699
(5-butan-2-yl-1-benzofuran-2-yl)methanamine
CID 107668317
(5-iodo-1-benzofuran-2-yl)methanamine
CID 86775734
[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
1-benzofuran-5-ylmethanamine
CID 2795182
6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58411330
2-propyl-1-benzofuran-5-amine
CID 22132951
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
2-iodo-5-propyl-1-benzofuran
CID 86051258
3-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 82504583

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-benzofuran-5-yl)methanamine?
The IUPAC name of (2-ethyl-1-benzofuran-5-yl)methanamine (CID 82411118) is (2-ethyl-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (2-ethyl-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (2-ethyl-1-benzofuran-5-yl)methanamine is CCc1cc2cc(CN)ccc2o1.
What is the InChIKey of (2-ethyl-1-benzofuran-5-yl)methanamine?
The InChIKey is YKICUFMZLIMMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-10-6-9-5-8(7-12)3-4-11(9)13-10/h3-6H,2,7,12H2,1H3.
What are the key properties of (2-ethyl-1-benzofuran-5-yl)methanamine?
(2-ethyl-1-benzofuran-5-yl)methanamine has a molecular weight of 175.23 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 82411118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).