2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline

C16H22F3NO — CID 102848912

IUPAC2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline
SMILESCOCCc1ccccc1NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-21-10-9-12-5-2-3-8-15(12)20-14-7-4-6-13(11-14)16(17,18)19/h2-3,5,8,13-14,20H,4,6-7,9-11H2,1H3
InChIKeyICKJSUROJNGIHJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.41
Rot. Bonds5

About 2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline

2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 102848912) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline
PubChem CID102848912
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline
SMILESCOCCc1ccccc1NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-21-10-9-12-5-2-3-8-15(12)20-14-7-4-6-13(11-14)16(17,18)19/h2-3,5,8,13-14,20H,4,6-7,9-11H2,1H3
InChIKeyICKJSUROJNGIHJ-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-2-(2-methoxyethyl)aniline
CID 102848928
1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine
CID 102903718
2-[[(R)-methylsulfinyl]methyl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]aniline
CID 129381524
2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 102903890
N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline
CID 102903864
N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine
CID 102849048
2-[2-(2-methoxyethyl)anilino]cyclopentan-1-ol
CID 102905089
N-(4-ethylcyclohexyl)-2-(2-methoxyethyl)aniline
CID 102903852
2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753632
4-tert-butyl-N-[2-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65089478
2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758818
2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline
CID 106871933

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline (CID 102848912) is 2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline is COCCc1ccccc1NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is ICKJSUROJNGIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-21-10-9-12-5-2-3-8-15(12)20-14-7-4-6-13(11-14)16(17,18)19/h2-3,5,8,13-14,20H,4,6-7,9-11H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline?
2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 301.35 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 102848912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).