[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine

C16H22FNO — CID 66361314

IUPAC[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(CC2Cc3cc(F)ccc3O2)C1
InChIInChI=1S/C16H22FNO/c1-11-4-5-16(8-11,10-18)9-14-7-12-6-13(17)2-3-15(12)19-14/h2-3,6,11,14H,4-5,7-10,18H2,1H3
InChIKeyKUPZLNXAZAGHLL-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.28
Rot. Bonds3

About [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine

[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine (PubChem CID 66361314) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine
PubChem CID66361314
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(CC2Cc3cc(F)ccc3O2)C1
InChIInChI=1S/C16H22FNO/c1-11-4-5-16(8-11,10-18)9-14-7-12-6-13(17)2-3-15(12)19-14/h2-3,6,11,14H,4-5,7-10,18H2,1H3
InChIKeyKUPZLNXAZAGHLL-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine with MolForge

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Related Compounds

[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine
CID 66391386
[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114534064
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66362246
3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine
CID 66362469
3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine
CID 79451353
[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine
CID 66360102
[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine
CID 114349747
1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 66360702
[1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine
CID 65401068
3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 66391779
N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 66360703

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine (CID 66361314) is [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine is CC1CCC(CN)(CC2Cc3cc(F)ccc3O2)C1.
What is the InChIKey of [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine?
The InChIKey is KUPZLNXAZAGHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11-4-5-16(8-11,10-18)9-14-7-12-6-13(17)2-3-15(12)19-14/h2-3,6,11,14H,4-5,7-10,18H2,1H3.
What are the key properties of [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine?
[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine has a molecular weight of 263.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 66361314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).