1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine

C17H26FNO2 — CID 116771238

IUPAC1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine
SMILESCOc1cccc(CC(N)C(OC)C2CCCCC2)c1F
InChIInChI=1S/C17H26FNO2/c1-20-15-10-6-9-13(16(15)18)11-14(19)17(21-2)12-7-4-3-5-8-12/h6,9-10,12,14,17H,3-5,7-8,11,19H2,1-2H3
InChIKeyLCUBVWUXUMNWKP-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.30
Rot. Bonds6

About 1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine

1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine (PubChem CID 116771238) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine
PubChem CID116771238
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine
SMILESCOc1cccc(CC(N)C(OC)C2CCCCC2)c1F
InChIInChI=1S/C17H26FNO2/c1-20-15-10-6-9-13(16(15)18)11-14(19)17(21-2)12-7-4-3-5-8-12/h6,9-10,12,14,17H,3-5,7-8,11,19H2,1-2H3
InChIKeyLCUBVWUXUMNWKP-UHFFFAOYSA-N
XLogP3.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105255263
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine
CID 116721854
1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 103456969
1-cyclopropyl-1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 116721971
1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 104791765
2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine
CID 104794195
2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 104794025
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104794033
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
CID 104793177
1-(4,4-dimethylcyclohexyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794042

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine?
The IUPAC name of 1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine (CID 116771238) is 1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine is COc1cccc(CC(N)C(OC)C2CCCCC2)c1F.
What is the InChIKey of 1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine?
The InChIKey is LCUBVWUXUMNWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-20-15-10-6-9-13(16(15)18)11-14(19)17(21-2)12-7-4-3-5-8-12/h6,9-10,12,14,17H,3-5,7-8,11,19H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine?
1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine has a molecular weight of 295.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine is sourced from PubChem (CID 116771238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).