(3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine

C14H17NO2 — CID 114376299

IUPAC(3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine
SMILESCCOc1ccc2oc(CN)c(C3CC3)c2c1
InChIInChI=1S/C14H17NO2/c1-2-16-10-5-6-12-11(7-10)14(9-3-4-9)13(8-15)17-12/h5-7,9H,2-4,8,15H2,1H3
InChIKeyRMBRSBSTDUWILW-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.17
Rot. Bonds4

About (3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine

(3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine (PubChem CID 114376299) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine
PubChem CID114376299
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine
SMILESCCOc1ccc2oc(CN)c(C3CC3)c2c1
InChIInChI=1S/C14H17NO2/c1-2-16-10-5-6-12-11(7-10)14(9-3-4-9)13(8-15)17-12/h5-7,9H,2-4,8,15H2,1H3
InChIKeyRMBRSBSTDUWILW-UHFFFAOYSA-N
XLogP3.17
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459832
N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81049006
(7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine
CID 114375282
5-ethoxy-3-methoxy-1-benzofuran-2-ol
CID 150105787
2-ethoxyxanthen-9-one
CID 14150405
(3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine
CID 62381419
N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114374961
N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114375397
1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone
CID 82372714
6-ethoxy-4-methoxychromen-2-one
CID 90255456
(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine
CID 104708346
N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376303

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine (CID 114376299) is (3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine is CCOc1ccc2oc(CN)c(C3CC3)c2c1.
What is the InChIKey of (3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine?
The InChIKey is RMBRSBSTDUWILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-16-10-5-6-12-11(7-10)14(9-3-4-9)13(8-15)17-12/h5-7,9H,2-4,8,15H2,1H3.
What are the key properties of (3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine?
(3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine has a molecular weight of 231.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114376299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).