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

C18H27NO — CID 65438290

IUPAC1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2cc(CC)cc(C(C)(C)C)c2o1
InChIInChI=1S/C18H27NO/c1-6-8-15(19)16-11-13-9-12(7-2)10-14(17(13)20-16)18(3,4)5/h9-11,15H,6-8,19H2,1-5H3
InChIKeyGZLXVBPRZLVVJP-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.09
Rot. Bonds4

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

1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine (PubChem CID 65438290) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine
PubChem CID65438290
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2cc(CC)cc(C(C)(C)C)c2o1
InChIInChI=1S/C18H27NO/c1-6-8-15(19)16-11-13-9-12(7-2)10-14(17(13)20-16)18(3,4)5/h9-11,15H,6-8,19H2,1-5H3
InChIKeyGZLXVBPRZLVVJP-UHFFFAOYSA-N
XLogP5.09
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441128
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-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65440384
1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine
CID 65440386
1-(5-bromo-6-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 115410701
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
7-tert-butyl-5-ethyl-3H-1,3-benzoxazol-2-one
CID 62369360
1-(5-ethyl-1-benzofuran-2-yl)butan-1-ol
CID 65439756

Frequently Asked Questions

What is the IUPAC name of 1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of 1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine (CID 65438290) is 1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for 1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for 1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine is CCCC(N)c1cc2cc(CC)cc(C(C)(C)C)c2o1.
What is the InChIKey of 1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is GZLXVBPRZLVVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-6-8-15(19)16-11-13-9-12(7-2)10-14(17(13)20-16)18(3,4)5/h9-11,15H,6-8,19H2,1-5H3.
What are the key properties of 1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine?
1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 5.09, 4 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-ethyl-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 65438290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).