3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane

C21H24FNO2 — CID 138377641

IUPAC3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane
SMILESCOc1ccc(CN2CC3CC3(C)C2)cc1OCc1ccccc1F
InChIInChI=1S/C21H24FNO2/c1-21-10-17(21)12-23(14-21)11-15-7-8-19(24-2)20(9-15)25-13-16-5-3-4-6-18(16)22/h3-9,17H,10-14H2,1-2H3
InChIKeyBQYGVLSVQRUCAG-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.26
Rot. Bonds6

About 3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane

3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 138377641) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID138377641
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane
SMILESCOc1ccc(CN2CC3CC3(C)C2)cc1OCc1ccccc1F
InChIInChI=1S/C21H24FNO2/c1-21-10-17(21)12-23(14-21)11-15-7-8-19(24-2)20(9-15)25-13-16-5-3-4-6-18(16)22/h3-9,17H,10-14H2,1-2H3
InChIKeyBQYGVLSVQRUCAG-UHFFFAOYSA-N
XLogP4.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
CID 170879087
1-[2-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22686462
(3aS,6aR)-2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045023
1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 42378887
(3S,4S)-4-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methylamino]-1,1-dioxothiolan-3-ol
CID 39752348
3-[(3-fluoro-4-methoxyphenyl)methyl]-1-[(4-fluoro-3-methylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane
CID 171935829
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208030
(3aR,6aS)-3-[(3,4-dimethoxyphenyl)methyl]-5-[(2-fluorophenyl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133115140
1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride
CID 17292737
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 90483788
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane (CID 138377641) is 3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane is COc1ccc(CN2CC3CC3(C)C2)cc1OCc1ccccc1F.
What is the InChIKey of 3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is BQYGVLSVQRUCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-21-10-17(21)12-23(14-21)11-15-7-8-19(24-2)20(9-15)25-13-16-5-3-4-6-18(16)22/h3-9,17H,10-14H2,1-2H3.
What are the key properties of 3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane?
3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 341.43 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 138377641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).