N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine

C17H25NO — CID 105045521

IUPACN-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
SMILESCCNC(CC(C)CC)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H25NO/c1-5-12(3)10-15(18-6-2)16-11-14-9-7-8-13(4)17(14)19-16/h7-9,11-12,15,18H,5-6,10H2,1-4H3
InChIKeyXVFICHVJZBZCDW-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.83
Rot. Bonds6

About N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine

N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine (PubChem CID 105045521) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
PubChem CID105045521
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
SMILESCCNC(CC(C)CC)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H25NO/c1-5-12(3)10-15(18-6-2)16-11-14-9-7-8-13(4)17(14)19-16/h7-9,11-12,15,18H,5-6,10H2,1-4H3
InChIKeyXVFICHVJZBZCDW-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

N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711
2-(cyclohexen-1-yl)-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114731034
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 114727840
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
N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105045567
N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine
CID 114733597
1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 65440199
N-ethyl-3-methyl-1-naphthalen-1-ylpentan-1-amine
CID 63416227
[2-ethoxy-1-(7-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235204
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine (CID 105045521) is N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine is CCNC(CC(C)CC)c1cc2cccc(C)c2o1.
What is the InChIKey of N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine?
The InChIKey is XVFICHVJZBZCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-12(3)10-15(18-6-2)16-11-14-9-7-8-13(4)17(14)19-16/h7-9,11-12,15,18H,5-6,10H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine?
N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-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-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine is sourced from PubChem (CID 105045521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).