1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine

C17H25NO — CID 63398518

IUPAC1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1oc2c(C(C)(C)C)cc(C)cc2c1C
InChIInChI=1S/C17H25NO/c1-10-8-13-11(2)15(12(3)18-7)19-16(13)14(9-10)17(4,5)6/h8-9,12,18H,1-7H3
InChIKeyITWFZJAIXPNRRJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.63
Rot. Bonds2

About 1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine

1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 63398518) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID63398518
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1oc2c(C(C)(C)C)cc(C)cc2c1C
InChIInChI=1S/C17H25NO/c1-10-8-13-11(2)15(12(3)18-7)19-16(13)14(9-10)17(4,5)6/h8-9,12,18H,1-7H3
InChIKeyITWFZJAIXPNRRJ-UHFFFAOYSA-N
XLogP4.63
TPSA25.17 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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 63398731
1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine
CID 43332526
1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61281325
N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398943
1-(7-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61281320
N-[[7-tert-butyl-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]ethanamine
CID 114375517
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
CID 158807348
1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65440384
N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 81041063
1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride
CID 54595179
N-[(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81050139

Frequently Asked Questions

What is the IUPAC name of 1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine (CID 63398518) is 1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine is CNC(C)c1oc2c(C(C)(C)C)cc(C)cc2c1C.
What is the InChIKey of 1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is ITWFZJAIXPNRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-10-8-13-11(2)15(12(3)18-7)19-16(13)14(9-10)17(4,5)6/h8-9,12,18H,1-7H3.
What are the key properties of 1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine?
1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 259.39 g/mol, XLogP of 4.63, 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-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 63398518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).