N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine

C17H23NO — CID 114735736

IUPACN-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1c1cc2cccc(C)c2o1
InChIInChI=1S/C17H23NO/c1-3-18-11-14-8-5-9-15(14)16-10-13-7-4-6-12(2)17(13)19-16/h4,6-7,10,14-15,18H,3,5,8-9,11H2,1-2H3
InChIKeyNMDMVTPZLHGJHJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.23
Rot. Bonds4

About N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine

N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine (PubChem CID 114735736) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine
PubChem CID114735736
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1c1cc2cccc(C)c2o1
InChIInChI=1S/C17H23NO/c1-3-18-11-14-8-5-9-15(14)16-10-13-7-4-6-12(2)17(13)19-16/h4,6-7,10,14-15,18H,3,5,8-9,11H2,1-2H3
InChIKeyNMDMVTPZLHGJHJ-UHFFFAOYSA-N
XLogP4.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine (CID 114735736) is N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine is CCNCC1CCCC1c1cc2cccc(C)c2o1.
What is the InChIKey of N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine?
The InChIKey is NMDMVTPZLHGJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-18-11-14-8-5-9-15(14)16-10-13-7-4-6-12(2)17(13)19-16/h4,6-7,10,14-15,18H,3,5,8-9,11H2,1-2H3.
What are the key properties of N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine?
N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 114735736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).