cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine

C15H18FNO — CID 63068378

IUPACcyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(C(N)C2CCCC2)oc2cc(F)ccc12
InChIInChI=1S/C15H18FNO/c1-9-12-7-6-11(16)8-13(12)18-15(9)14(17)10-4-2-3-5-10/h6-8,10,14H,2-5,17H2,1H3
InChIKeyJQJIBVQGHUTWQK-UHFFFAOYSA-N
MW247.31 g/mol
LogP4.07
Rot. Bonds2

About cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine

cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 63068378) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Namecyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID63068378
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Namecyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(C(N)C2CCCC2)oc2cc(F)ccc12
InChIInChI=1S/C15H18FNO/c1-9-12-7-6-11(16)8-13(12)18-15(9)14(17)10-4-2-3-5-10/h6-8,10,14H,2-5,17H2,1H3
InChIKeyJQJIBVQGHUTWQK-UHFFFAOYSA-N
XLogP4.07
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine
CID 107139062
(5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine
CID 63549324
cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 66777937
2-[chloro(cyclohexyl)methyl]-5-fluoro-3-methyl-1-benzofuran
CID 66777694
N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline
CID 143859293
(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine
CID 83125635
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 105151601
(3,4-dichlorophenyl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63067697
[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313472
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 105147146
3-[[4-[[cyclohexyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]benzoyl]-methylamino]propanoic acid
CID 68629306

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine (CID 63068378) is cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine is Cc1c(C(N)C2CCCC2)oc2cc(F)ccc12.
What is the InChIKey of cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is JQJIBVQGHUTWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-9-12-7-6-11(16)8-13(12)18-15(9)14(17)10-4-2-3-5-10/h6-8,10,14H,2-5,17H2,1H3.
What are the key properties of cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 247.31 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 63068378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).