2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine

C18H27NO — CID 114735641

IUPAC2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCc1ccc2oc(C(C)C(C)CNCC(C)C)cc2c1
InChIInChI=1S/C18H27NO/c1-12(2)10-19-11-14(4)15(5)18-9-16-8-13(3)6-7-17(16)20-18/h6-9,12,14-15,19H,10-11H2,1-5H3
InChIKeyZFWAKIFAMBBVGV-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.73
Rot. Bonds6

About 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine

2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 114735641) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID114735641
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCc1ccc2oc(C(C)C(C)CNCC(C)C)cc2c1
InChIInChI=1S/C18H27NO/c1-12(2)10-19-11-14(4)15(5)18-9-16-8-13(3)6-7-17(16)20-18/h6-9,12,14-15,19H,10-11H2,1-5H3
InChIKeyZFWAKIFAMBBVGV-UHFFFAOYSA-N
XLogP4.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol
CID 114735119
3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 114735605
3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 114735623
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045170
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726614
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine (CID 114735641) is 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine is Cc1ccc2oc(C(C)C(C)CNCC(C)C)cc2c1.
What is the InChIKey of 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is ZFWAKIFAMBBVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12(2)10-19-11-14(4)15(5)18-9-16-8-13(3)6-7-17(16)20-18/h6-9,12,14-15,19H,10-11H2,1-5H3.
What are the key properties of 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine?
2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 114735641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).