(7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine

C17H23NO2 — CID 114375282

IUPAC(7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1cc(C(C)(C)C)c2oc(CN)c(C3CC3)c2c1
InChIInChI=1S/C17H23NO2/c1-17(2,3)13-8-11(19-4)7-12-15(10-5-6-10)14(9-18)20-16(12)13/h7-8,10H,5-6,9,18H2,1-4H3
InChIKeyBESCEZMUNCEBMG-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.07
Rot. Bonds3

About (7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine

(7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine (PubChem CID 114375282) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine
PubChem CID114375282
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1cc(C(C)(C)C)c2oc(CN)c(C3CC3)c2c1
InChIInChI=1S/C17H23NO2/c1-17(2,3)13-8-11(19-4)7-12-15(10-5-6-10)14(9-18)20-16(12)13/h7-8,10H,5-6,9,18H2,1-4H3
InChIKeyBESCEZMUNCEBMG-UHFFFAOYSA-N
XLogP4.07
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine
CID 114375278
(3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine
CID 62381419
(3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine
CID 114376299
(7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine
CID 63488725
(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
CID 114375491
(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine
CID 104708346
2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol
CID 117351397
(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine
CID 107669974
2,6-ditert-butyl-4-methoxyphenol
CID 10269
N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114374961
3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
CID 117418125
(2-cyclopropyl-6-methoxy-8-methylquinolin-4-yl)methanamine
CID 84630264

Frequently Asked Questions

What is the IUPAC name of (7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine?
The IUPAC name of (7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine (CID 114375282) is (7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine is COc1cc(C(C)(C)C)c2oc(CN)c(C3CC3)c2c1.
What is the InChIKey of (7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine?
The InChIKey is BESCEZMUNCEBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,3)13-8-11(19-4)7-12-15(10-5-6-10)14(9-18)20-16(12)13/h7-8,10H,5-6,9,18H2,1-4H3.
What are the key properties of (7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine?
(7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine has a molecular weight of 273.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114375282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).