N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine

C16H23NO — CID 105045170

IUPACN,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCC(C)(C)C(NC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H23NO/c1-6-16(3,4)15(17-5)14-10-12-9-11(2)7-8-13(12)18-14/h7-10,15,17H,6H2,1-5H3
InChIKeySVFFXWUTUGZKGC-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.44
Rot. Bonds4

About N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine

N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine (PubChem CID 105045170) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
PubChem CID105045170
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCC(C)(C)C(NC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H23NO/c1-6-16(3,4)15(17-5)14-10-12-9-11(2)7-8-13(12)18-14/h7-10,15,17H,6H2,1-5H3
InChIKeySVFFXWUTUGZKGC-UHFFFAOYSA-N
XLogP4.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine
CID 105045248
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-propylpentan-1-amine
CID 105045144
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 114731389
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741
1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731317
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731322
N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine
CID 105045111
1-(5-ethylfuran-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045342
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol
CID 114727398

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine (CID 105045170) is N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine is CCC(C)(C)C(NC)c1cc2cc(C)ccc2o1.
What is the InChIKey of N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is SVFFXWUTUGZKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-6-16(3,4)15(17-5)14-10-12-9-11(2)7-8-13(12)18-14/h7-10,15,17H,6H2,1-5H3.
What are the key properties of N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine?
N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 105045170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).