N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine

C16H21NO — CID 114735733

IUPACN-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine
SMILESCNCC1CCCC1c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H21NO/c1-11-6-7-15-13(8-11)9-16(18-15)14-5-3-4-12(14)10-17-2/h6-9,12,14,17H,3-5,10H2,1-2H3
InChIKeyMPDXZFLEYXGMHP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.84
Rot. Bonds3

About N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine

N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine (PubChem CID 114735733) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine
PubChem CID114735733
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine
SMILESCNCC1CCCC1c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H21NO/c1-11-6-7-15-13(8-11)9-16(18-15)14-5-3-4-12(14)10-17-2/h6-9,12,14,17H,3-5,10H2,1-2H3
InChIKeyMPDXZFLEYXGMHP-UHFFFAOYSA-N
XLogP3.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine?
The IUPAC name of N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine (CID 114735733) is N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine is CNCC1CCCC1c1cc2cc(C)ccc2o1.
What is the InChIKey of N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine?
The InChIKey is MPDXZFLEYXGMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-6-7-15-13(8-11)9-16(18-15)14-5-3-4-12(14)10-17-2/h6-9,12,14,17H,3-5,10H2,1-2H3.
What are the key properties of N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine?
N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine is sourced from PubChem (CID 114735733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).