(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine

C17H24FNO — CID 81385411

IUPAC(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
SMILESC[C@@H](NCC1Cc2cc(F)ccc2O1)C1CCCCC1
InChIInChI=1S/C17H24FNO/c1-12(13-5-3-2-4-6-13)19-11-16-10-14-9-15(18)7-8-17(14)20-16/h7-9,12-13,16,19H,2-6,10-11H2,1H3/t12-,16?/m1/s1
InChIKeyRGCJTYLSZOYDJM-ZGTOLYCTSA-N
MW277.38 g/mol
LogP3.69
Rot. Bonds4

About (1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine

(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 81385411) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID81385411
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
SMILESC[C@@H](NCC1Cc2cc(F)ccc2O1)C1CCCCC1
InChIInChI=1S/C17H24FNO/c1-12(13-5-3-2-4-6-13)19-11-16-10-14-9-15(18)7-8-17(14)20-16/h7-9,12-13,16,19H,2-6,10-11H2,1H3/t12-,16?/m1/s1
InChIKeyRGCJTYLSZOYDJM-ZGTOLYCTSA-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

Analyze (1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364285
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclohexylethanamine
CID 66391635
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 66364286
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938249
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine
CID 66363148
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66364892
1-chloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpentan-3-amine
CID 106353817
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 66363715
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 66363325
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81364235

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine (CID 81385411) is (1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine is C[C@@H](NCC1Cc2cc(F)ccc2O1)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is RGCJTYLSZOYDJM-ZGTOLYCTSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12(13-5-3-2-4-6-13)19-11-16-10-14-9-15(18)7-8-17(14)20-16/h7-9,12-13,16,19H,2-6,10-11H2,1H3/t12-,16?/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine 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 (1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 81385411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).