3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline

C14H18F3NO — CID 64758791

IUPAC3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline
SMILESCOc1cccc(NC2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C14H18F3NO/c1-19-13-7-3-6-12(9-13)18-11-5-2-4-10(8-11)14(15,16)17/h3,6-7,9-11,18H,2,4-5,8H2,1H3
InChIKeyJEOWXZLIEFAXBQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP4.23
Rot. Bonds3

About 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline

3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64758791) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64758791
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline
SMILESCOc1cccc(NC2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C14H18F3NO/c1-19-13-7-3-6-12(9-13)18-11-5-2-4-10(8-11)14(15,16)17/h3,6-7,9-11,18H,2,4-5,8H2,1H3
InChIKeyJEOWXZLIEFAXBQ-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 64757163
3-[[(R)-methylsulfinyl]methyl]-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]aniline
CID 129381498
3-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64755472
N-(4,4-difluorocyclohexyl)-3-methoxyaniline
CID 171662901
3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753647
N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 99625911
trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
CID 93345904
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754052
N-(2,2-dimethylcyclopentyl)-3-methoxyaniline
CID 79864652
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline (CID 64758791) is 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline is COc1cccc(NC2CCCC(C(F)(F)F)C2)c1.
What is the InChIKey of 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is JEOWXZLIEFAXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-19-13-7-3-6-12(9-13)18-11-5-2-4-10(8-11)14(15,16)17/h3,6-7,9-11,18H,2,4-5,8H2,1H3.
What are the key properties of 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline?
3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 273.30 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64758791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).