1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine

C14H19NO2 — CID 65441128

IUPAC1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2cc(C)cc(OC)c2o1
InChIInChI=1S/C14H19NO2/c1-4-5-11(15)12-8-10-6-9(2)7-13(16-3)14(10)17-12/h6-8,11H,4-5,15H2,1-3H3
InChIKeyZLEOABMUSYEXEX-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.55
Rot. Bonds4

About 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine

1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine (PubChem CID 65441128) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine
PubChem CID65441128
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2cc(C)cc(OC)c2o1
InChIInChI=1S/C14H19NO2/c1-4-5-11(15)12-8-10-6-9(2)7-13(16-3)14(10)17-12/h6-8,11H,4-5,15H2,1-3H3
InChIKeyZLEOABMUSYEXEX-UHFFFAOYSA-N
XLogP3.55
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine 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

(1R)-1-(7-methoxy-1-benzofuran-2-yl)butan-1-amine
CID 165461151
1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65440579
(1S)-1-(2,6-dimethoxy-4-methylphenyl)butan-1-amine;hydrochloride
CID 171235550
1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 65440138
1-(7-methoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438646
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine
CID 171215923
1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine
CID 65439823
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine
CID 65440386
1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine
CID 65438290
1-(9-bromobenzo[f][1]benzofuran-2-yl)butan-1-amine
CID 65440802

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine (CID 65441128) is 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine is CCCC(N)c1cc2cc(C)cc(OC)c2o1.
What is the InChIKey of 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is ZLEOABMUSYEXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-5-11(15)12-8-10-6-9(2)7-13(16-3)14(10)17-12/h6-8,11H,4-5,15H2,1-3H3.
What are the key properties of 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine?
1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 65441128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).