N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine

C15H21NO — CID 65441133

IUPACN-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(NCC)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H21NO/c1-4-7-13(16-5-2)14-10-12-9-6-8-11(3)15(12)17-14/h6,8-10,13,16H,4-5,7H2,1-3H3
InChIKeyMMTJGZRRXXMVTH-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.19
Rot. Bonds5

About N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine

N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine (PubChem CID 65441133) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
PubChem CID65441133
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(NCC)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H21NO/c1-4-7-13(16-5-2)14-10-12-9-6-8-11(3)15(12)17-14/h6,8-10,13,16H,4-5,7H2,1-3H3
InChIKeyMMTJGZRRXXMVTH-UHFFFAOYSA-N
XLogP4.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711
N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
CID 105045521
2-(cyclohexen-1-yl)-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114731034
N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105045567
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128
N-[1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfonylethyl]propan-1-amine
CID 105045409
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine
CID 65438665
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114730512
[1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine
CID 105209906
1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
CID 105149223

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine (CID 65441133) is N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine is CCCC(NCC)c1cc2cccc(C)c2o1.
What is the InChIKey of N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is MMTJGZRRXXMVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-7-13(16-5-2)14-10-12-9-6-8-11(3)15(12)17-14/h6,8-10,13,16H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine?
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 65441133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).