1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine

C15H22FNO — CID 43189015

IUPAC1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC(N)c1c(F)cccc1OC1CCCCC1C
InChIInChI=1S/C15H22FNO/c1-10-6-3-4-8-13(10)18-14-9-5-7-12(16)15(14)11(2)17/h5,7,9-11,13H,3-4,6,8,17H2,1-2H3
InChIKeyJJASBTSYNASIQW-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.80
Rot. Bonds3

About 1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine

1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 43189015) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
PubChem CID43189015
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC(N)c1c(F)cccc1OC1CCCCC1C
InChIInChI=1S/C15H22FNO/c1-10-6-3-4-8-13(10)18-14-9-5-7-12(16)15(14)11(2)17/h5,7,9-11,13H,3-4,6,8,17H2,1-2H3
InChIKeyJJASBTSYNASIQW-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 55183517
N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
CID 43285022
2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid
CID 79511879
(1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine
CID 63559068
1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 43128559
3-fluoro-4-(2-methylcyclohexyl)oxyaniline
CID 43123610
1-methyl-2-(2-methylcyclohexyl)oxybenzene
CID 139448709
1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine
CID 65467678
(1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine
CID 79009023
(1S)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937737
(1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 63370510
1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine
CID 63114882

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine (CID 43189015) is 1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine is CC(N)c1c(F)cccc1OC1CCCCC1C.
What is the InChIKey of 1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is JJASBTSYNASIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-6-3-4-8-13(10)18-14-9-5-7-12(16)15(14)11(2)17/h5,7,9-11,13H,3-4,6,8,17H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine?
1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 43189015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).