4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine

C14H22FNO2 — CID 145312393

IUPAC4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC(F)=CC1O[C@H]1CCC[C@@H](OC)C1
InChIInChI=1S/C14H22FNO2/c1-16-13-7-6-10(15)8-14(13)18-12-5-3-4-11(9-12)17-2/h6-8,11-14,16H,3-5,9H2,1-2H3/t11-,12+,13?,14?/m1/s1
InChIKeyRGZHOYOYBGSZDK-KBHBFKLGSA-N
MW255.33 g/mol
LogP2.34
Rot. Bonds4

About 4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine

4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 145312393) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID145312393
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC(F)=CC1O[C@H]1CCC[C@@H](OC)C1
InChIInChI=1S/C14H22FNO2/c1-16-13-7-6-10(15)8-14(13)18-12-5-3-4-11(9-12)17-2/h6-8,11-14,16H,3-5,9H2,1-2H3/t11-,12+,13?,14?/m1/s1
InChIKeyRGZHOYOYBGSZDK-KBHBFKLGSA-N
XLogP2.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine with MolForge

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Related Compounds

1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane
CID 66345792
3-cyclobutyloxy-N-methylcyclobutan-1-amine
CID 66350250
1-(chloromethoxy)-3-methoxycyclohexane
CID 79529091
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
CID 140718848
5-(3-methoxycyclohexyl)-1,2,3,6-tetrahydropyridin-3-amine
CID 165458443
4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775
(3-methoxycyclohexyl) 2,3-difluorobenzoate
CID 62867405
5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine
CID 116649217
3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine
CID 66351376
3-fluoro-2-(3-methoxycyclohexyl)oxyaniline
CID 104831451
1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene
CID 65202671

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine (CID 145312393) is 4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine is CNC1C=CC(F)=CC1O[C@H]1CCC[C@@H](OC)C1.
What is the InChIKey of 4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is RGZHOYOYBGSZDK-KBHBFKLGSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-16-13-7-6-10(15)8-14(13)18-12-5-3-4-11(9-12)17-2/h6-8,11-14,16H,3-5,9H2,1-2H3/t11-,12+,13?,14?/m1/s1.
What are the key properties of 4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine?
4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 255.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(1S,3R)-3-methoxycyclohexyl]oxy-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 145312393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).