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

C17H25NO — CID 105045193

IUPACN,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCNC(c1cc2cc(C)ccc2o1)C(CC)CC
InChIInChI=1S/C17H25NO/c1-5-13(6-2)17(18-7-3)16-11-14-10-12(4)8-9-15(14)19-16/h8-11,13,17-18H,5-7H2,1-4H3
InChIKeyNJQQKXPTFTXECK-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.83
Rot. Bonds6

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

N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine (PubChem CID 105045193) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
PubChem CID105045193
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCNC(c1cc2cc(C)ccc2o1)C(CC)CC
InChIInChI=1S/C17H25NO/c1-5-13(6-2)17(18-7-3)16-11-14-10-12(4)8-9-15(14)19-16/h8-11,13,17-18H,5-7H2,1-4H3
InChIKeyNJQQKXPTFTXECK-UHFFFAOYSA-N
XLogP4.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine
CID 105045206
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine
CID 105045797
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163930
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-propylpentan-1-amine
CID 105045144
N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 114731389
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177921
2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114728947
N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045128
N-[(5-methyl-1-benzofuran-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841419

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine (CID 105045193) is N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine is CCNC(c1cc2cc(C)ccc2o1)C(CC)CC.
What is the InChIKey of N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is NJQQKXPTFTXECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-13(6-2)17(18-7-3)16-11-14-10-12(4)8-9-15(14)19-16/h8-11,13,17-18H,5-7H2,1-4H3.
What are the key properties of N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine?
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 105045193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).