2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

C16H22FNO2 — CID 104793964

IUPAC2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCNC(Cc1cccc(OC)c1F)C1CC2CCC1O2
InChIInChI=1S/C16H22FNO2/c1-18-13(12-9-11-6-7-14(12)20-11)8-10-4-3-5-15(19-2)16(10)17/h3-5,11-14,18H,6-9H2,1-2H3
InChIKeyZSEGBJYKKMVHPI-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.53
Rot. Bonds5

About 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (PubChem CID 104793964) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
PubChem CID104793964
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCNC(Cc1cccc(OC)c1F)C1CC2CCC1O2
InChIInChI=1S/C16H22FNO2/c1-18-13(12-9-11-6-7-14(12)20-11)8-10-4-3-5-15(19-2)16(10)17/h3-5,11-14,18H,6-9H2,1-2H3
InChIKeyZSEGBJYKKMVHPI-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107308630
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 65325475
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 105035624
1-(4,4-dimethylcyclohexyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794042
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104794033
1-(2,2-dimethylcyclopentyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 107190809
1-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794224
[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105255263
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 115983778
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794154
[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210747
1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 103456969

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (CID 104793964) is 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is CNC(Cc1cccc(OC)c1F)C1CC2CCC1O2.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The InChIKey is ZSEGBJYKKMVHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-18-13(12-9-11-6-7-14(12)20-11)8-10-4-3-5-15(19-2)16(10)17/h3-5,11-14,18H,6-9H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine has a molecular weight of 279.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is sourced from PubChem (CID 104793964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).