3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine

C16H22FNO — CID 66362469

IUPAC3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine
SMILESCCC1CCC(N)(CC2Cc3cc(F)ccc3O2)C1
InChIInChI=1S/C16H22FNO/c1-2-11-5-6-16(18,9-11)10-14-8-12-7-13(17)3-4-15(12)19-14/h3-4,7,11,14H,2,5-6,8-10,18H2,1H3
InChIKeyISVUTXSIWTUIEZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.43
Rot. Bonds3

About 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine

3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine (PubChem CID 66362469) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine
PubChem CID66362469
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine
SMILESCCC1CCC(N)(CC2Cc3cc(F)ccc3O2)C1
InChIInChI=1S/C16H22FNO/c1-2-11-5-6-16(18,9-11)10-14-8-12-7-13(17)3-4-15(12)19-14/h3-4,7,11,14H,2,5-6,8-10,18H2,1H3
InChIKeyISVUTXSIWTUIEZ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine
CID 66361314
[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114534064
3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66362444
N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66362246
3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine
CID 79451353
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran
CID 126553111
3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 64516010
4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121920
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359131
N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 66360703
1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine
CID 105403034

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine (CID 66362469) is 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine is CCC1CCC(N)(CC2Cc3cc(F)ccc3O2)C1.
What is the InChIKey of 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is ISVUTXSIWTUIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-11-5-6-16(18,9-11)10-14-8-12-7-13(17)3-4-15(12)19-14/h3-4,7,11,14H,2,5-6,8-10,18H2,1H3.
What are the key properties of 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine?
3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 66362469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).