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

C17H25NO — CID 65440579

IUPAC1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2cc(C)cc(C(C)(C)C)c2o1
InChIInChI=1S/C17H25NO/c1-6-7-14(18)15-10-12-8-11(2)9-13(16(12)19-15)17(3,4)5/h8-10,14H,6-7,18H2,1-5H3
InChIKeyFWGROZHMKHJZDK-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.84
Rot. Bonds3

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

1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine (PubChem CID 65440579) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine
PubChem CID65440579
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2cc(C)cc(C(C)(C)C)c2o1
InChIInChI=1S/C17H25NO/c1-6-7-14(18)15-10-12-8-11(2)9-13(16(12)19-15)17(3,4)5/h8-10,14H,6-7,18H2,1-5H3
InChIKeyFWGROZHMKHJZDK-UHFFFAOYSA-N
XLogP4.84
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine
CID 65438290
1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65440384
1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441128
N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 65438322
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-(9-bromobenzo[f][1]benzofuran-2-yl)butan-1-amine
CID 65440802
(1R)-1-(7-methoxy-1-benzofuran-2-yl)butan-1-amine
CID 165461151
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65441138

Frequently Asked Questions

What is the IUPAC name of 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine (CID 65440579) is 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine is CCCC(N)c1cc2cc(C)cc(C(C)(C)C)c2o1.
What is the InChIKey of 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is FWGROZHMKHJZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-6-7-14(18)15-10-12-8-11(2)9-13(16(12)19-15)17(3,4)5/h8-10,14H,6-7,18H2,1-5H3.
What are the key properties of 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine?
1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 65440579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).