2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine

C18H27NO — CID 105045206

IUPAC2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine
SMILESCCCCC(CC)C(NC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C18H27NO/c1-5-7-8-14(6-2)18(19-4)17-12-15-11-13(3)9-10-16(15)20-17/h9-12,14,18-19H,5-8H2,1-4H3
InChIKeyPNAZWNKTFOPGCY-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.22
Rot. Bonds7

About 2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine

2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine (PubChem CID 105045206) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine
PubChem CID105045206
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine
SMILESCCCCC(CC)C(NC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C18H27NO/c1-5-7-8-14(6-2)18(19-4)17-12-15-11-13(3)9-10-16(15)20-17/h9-12,14,18-19H,5-8H2,1-4H3
InChIKeyPNAZWNKTFOPGCY-UHFFFAOYSA-N
XLogP5.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-propylpentan-1-amine
CID 105045144
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine
CID 105045111
1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine
CID 105045797
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045170
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine
CID 114730952
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138
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
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methylfuran-3-yl)methanamine
CID 105045142

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine (CID 105045206) is 2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine is CCCCC(CC)C(NC)c1cc2cc(C)ccc2o1.
What is the InChIKey of 2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine?
The InChIKey is PNAZWNKTFOPGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-7-8-14(6-2)18(19-4)17-12-15-11-13(3)9-10-16(15)20-17/h9-12,14,18-19H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine?
2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine is sourced from PubChem (CID 105045206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).