N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine

C15H20F3NO — CID 102633086

IUPACN-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
SMILESCNC1CCCCC1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-19-13-4-2-3-5-14(13)20-10-11-6-8-12(9-7-11)15(16,17)18/h6-9,13-14,19H,2-5,10H2,1H3
InChIKeyUPZRCILPMTYQJK-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.75
Rot. Bonds4

About N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine

N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine (PubChem CID 102633086) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
PubChem CID102633086
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
SMILESCNC1CCCCC1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-19-13-4-2-3-5-14(13)20-10-11-6-8-12(9-7-11)15(16,17)18/h6-9,13-14,19H,2-5,10H2,1H3
InChIKeyUPZRCILPMTYQJK-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine
CID 102633085
2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine
CID 107304027
3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile
CID 102633171
7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene
CID 101131304
(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 58651111
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227
1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol
CID 106941019
2-[(4-bromophenyl)methoxy]-N-propylcyclohexan-1-amine
CID 82832119
2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine
CID 82831438
N-methyl-2-(4,4,4-trifluorobutoxy)cycloheptan-1-amine
CID 82788736

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine (CID 102633086) is N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine is CNC1CCCCC1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine?
The InChIKey is UPZRCILPMTYQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-19-13-4-2-3-5-14(13)20-10-11-6-8-12(9-7-11)15(16,17)18/h6-9,13-14,19H,2-5,10H2,1H3.
What are the key properties of N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine?
N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine has a molecular weight of 287.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine is sourced from PubChem (CID 102633086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).