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

C17H24FNO — CID 66364918

IUPACN-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H24FNO/c1-2-19-16-6-4-3-5-12(16)10-15-11-13-9-14(18)7-8-17(13)20-15/h7-9,12,15-16,19H,2-6,10-11H2,1H3
InChIKeyOCKGKBRZGJNIJF-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.69
Rot. Bonds4

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

N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine (PubChem CID 66364918) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine
PubChem CID66364918
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H24FNO/c1-2-19-16-6-4-3-5-12(16)10-15-11-13-9-14(18)7-8-17(13)20-15/h7-9,12,15-16,19H,2-6,10-11H2,1H3
InChIKeyOCKGKBRZGJNIJF-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol
CID 66360881
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine
CID 66363148
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 66363715
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methoxycyclopentan-1-amine
CID 66362950
1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66360708
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
CID 66361100
(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 81385411
N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66362246
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359131

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine (CID 66364918) is N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine is CCNC1CCCCC1CC1Cc2cc(F)ccc2O1.
What is the InChIKey of N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is OCKGKBRZGJNIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-2-19-16-6-4-3-5-12(16)10-15-11-13-9-14(18)7-8-17(13)20-15/h7-9,12,15-16,19H,2-6,10-11H2,1H3.
What are the key properties of N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine?
N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 277.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 66364918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).