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

C17H25NO — CID 65440384

IUPAC1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCc1cc(C(C)(C)C)c2oc(C(N)C(C)C)cc2c1
InChIInChI=1S/C17H25NO/c1-10(2)15(18)14-9-12-7-11(3)8-13(16(12)19-14)17(4,5)6/h7-10,15H,18H2,1-6H3
InChIKeyMLBDCDOXEGPASO-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.69
Rot. Bonds2

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

1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine (PubChem CID 65440384) 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)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
PubChem CID65440384
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCc1cc(C(C)(C)C)c2oc(C(N)C(C)C)cc2c1
InChIInChI=1S/C17H25NO/c1-10(2)15(18)14-9-12-7-11(3)8-13(16(12)19-14)17(4,5)6/h7-10,15H,18H2,1-6H3
InChIKeyMLBDCDOXEGPASO-UHFFFAOYSA-N
XLogP4.69
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.69
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-(7-bromo-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65438472
N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 65438322
1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 43149764
1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine
CID 65438612
(1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine
CID 165455132
1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine
CID 65438290
1-(6,7-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65440612
1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65439039
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65441066
2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-amine
CID 65440953
1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 65440790

Frequently Asked Questions

What is the IUPAC name of 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine (CID 65440384) is 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine is Cc1cc(C(C)(C)C)c2oc(C(N)C(C)C)cc2c1.
What is the InChIKey of 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The InChIKey is MLBDCDOXEGPASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-10(2)15(18)14-9-12-7-11(3)8-13(16(12)19-14)17(4,5)6/h7-10,15H,18H2,1-6H3.
What are the key properties of 1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine?
1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.69, 2 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)-2-methylpropan-1-amine is sourced from PubChem (CID 65440384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).