1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine

C15H22FNO — CID 114058879

IUPAC1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCC(Oc2c(F)cccc2C(C)N)CC1
InChIInChI=1S/C15H22FNO/c1-10-6-8-12(9-7-10)18-15-13(11(2)17)4-3-5-14(15)16/h3-5,10-12H,6-9,17H2,1-2H3
InChIKeyBNXCQLATTPRYSB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.80
Rot. Bonds3

About 1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine

1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 114058879) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
PubChem CID114058879
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCC(Oc2c(F)cccc2C(C)N)CC1
InChIInChI=1S/C15H22FNO/c1-10-6-8-12(9-7-10)18-15-13(11(2)17)4-3-5-14(15)16/h3-5,10-12H,6-9,17H2,1-2H3
InChIKeyBNXCQLATTPRYSB-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

(1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine
CID 64747480
N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 115955018
1-(2-cyclopentyloxy-3-fluorophenyl)-N-methylethanamine
CID 114058866
(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 78999288
1-(2-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55018678
1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958578
(1S)-1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 114058877
1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine
CID 55020306
1-(1-cyclohexyloxynaphthalen-2-yl)ethanamine
CID 43475177
3-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43187378
3-bromo-2-(4-methylcyclohexyl)oxyaniline
CID 81499795
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131184271

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine (CID 114058879) is 1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine is CC1CCC(Oc2c(F)cccc2C(C)N)CC1.
What is the InChIKey of 1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is BNXCQLATTPRYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-6-8-12(9-7-10)18-15-13(11(2)17)4-3-5-14(15)16/h3-5,10-12H,6-9,17H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine?
1-[3-fluoro-2-(4-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-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 114058879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).