1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine

C15H21NO — CID 65440386

IUPAC1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2c(C)cc(C)c(C)c2o1
InChIInChI=1S/C15H21NO/c1-5-6-13(16)14-8-12-10(3)7-9(2)11(4)15(12)17-14/h7-8,13H,5-6,16H2,1-4H3
InChIKeyXTQCOGSJMBNKKV-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.16
Rot. Bonds3

About 1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine

1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine (PubChem CID 65440386) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine
PubChem CID65440386
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2c(C)cc(C)c(C)c2o1
InChIInChI=1S/C15H21NO/c1-5-6-13(16)14-8-12-10(3)7-9(2)11(4)15(12)17-14/h7-8,13H,5-6,16H2,1-4H3
InChIKeyXTQCOGSJMBNKKV-UHFFFAOYSA-N
XLogP4.16
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
CID 65439868
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441128
1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65440579
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-(9-bromobenzo[f][1]benzofuran-2-yl)butan-1-amine
CID 65440802
N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440238
(1R)-1-(7-methoxy-1-benzofuran-2-yl)butan-1-amine
CID 165461151
1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine
CID 65440041
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
1-(2,6-dimethylphenyl)butan-1-amine
CID 55283008

Frequently Asked Questions

What is the IUPAC name of 1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of 1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine (CID 65440386) is 1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for 1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine is CCCC(N)c1cc2c(C)cc(C)c(C)c2o1.
What is the InChIKey of 1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is XTQCOGSJMBNKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-6-13(16)14-8-12-10(3)7-9(2)11(4)15(12)17-14/h7-8,13H,5-6,16H2,1-4H3.
What are the key properties of 1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine?
1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 65440386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).