2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine

C18H27NO — CID 105045138

IUPAC2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1cc2cc(C)ccc2o1)C(C)C(C)C
InChIInChI=1S/C18H27NO/c1-6-9-19-18(14(5)12(2)3)17-11-15-10-13(4)7-8-16(15)20-17/h7-8,10-12,14,18-19H,6,9H2,1-5H3
InChIKeyBYSGFLUZUBFKJS-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.07
Rot. Bonds6

About 2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine

2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine (PubChem CID 105045138) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
PubChem CID105045138
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1cc2cc(C)ccc2o1)C(C)C(C)C
InChIInChI=1S/C18H27NO/c1-6-9-19-18(14(5)12(2)3)17-11-15-10-13(4)7-8-16(15)20-17/h7-8,10-12,14,18-19H,6,9H2,1-5H3
InChIKeyBYSGFLUZUBFKJS-UHFFFAOYSA-N
XLogP5.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine
CID 105158225
N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
CID 114727860
N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045147
N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 114730144
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
N-[(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114730213
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-propylpentan-1-amine
CID 105045144
N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 114727737
N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045202
N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114730166
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine (CID 105045138) is 2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine is CCCNC(c1cc2cc(C)ccc2o1)C(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine?
The InChIKey is BYSGFLUZUBFKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-6-9-19-18(14(5)12(2)3)17-11-15-10-13(4)7-8-16(15)20-17/h7-8,10-12,14,18-19H,6,9H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine?
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 105045138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).