3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine

C14H18F3NO — CID 79465808

IUPAC3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
SMILESNC1CCCC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)11-4-1-3-10(7-11)9-19-13-6-2-5-12(18)8-13/h1,3-4,7,12-13H,2,5-6,8-9,18H2
InChIKeyBMFHZSLSSDIWQE-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.49
Rot. Bonds3

About 3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine

3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine (PubChem CID 79465808) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
PubChem CID79465808
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
SMILESNC1CCCC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)11-4-1-3-10(7-11)9-19-13-6-2-5-12(18)8-13/h1,3-4,7,12-13H,2,5-6,8-9,18H2
InChIKeyBMFHZSLSSDIWQE-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS,6aR)-5-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 135388155
(2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine
CID 177205527
3-[(4-chlorophenyl)methoxy]cyclohexan-1-amine
CID 79466104
3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 64502717
3-phenylmethoxycyclopentan-1-amine
CID 79421215
[(1R)-3-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]cyclohexyl]carbamic acid
CID 118524831
2-methoxy-1-[(3R)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223657
2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223656
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol
CID 166925048
1-[[(1S,3R)-3-chlorocyclopentyl]methoxymethyl]-3-(trifluoromethyl)benzene
CID 143895164
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine (CID 79465808) is 3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine is NC1CCCC(OCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine?
The InChIKey is BMFHZSLSSDIWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)11-4-1-3-10(7-11)9-19-13-6-2-5-12(18)8-13/h1,3-4,7,12-13H,2,5-6,8-9,18H2.
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine?
3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine is sourced from PubChem (CID 79465808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).