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

C16H22F3NO — CID 102903890

IUPAC2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCOCCc1ccccc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C16H22F3NO/c1-21-11-10-12-6-2-4-8-14(12)20-15-9-5-3-7-13(15)16(17,18)19/h2,4,6,8,13,15,20H,3,5,7,9-11H2,1H3
InChIKeyNOCIDMVJUADUEI-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.41
Rot. Bonds5

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

2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 102903890) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline
PubChem CID102903890
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCOCCc1ccccc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C16H22F3NO/c1-21-11-10-12-6-2-4-8-14(12)20-15-9-5-3-7-13(15)16(17,18)19/h2,4,6,8,13,15,20H,3,5,7,9-11H2,1H3
InChIKeyNOCIDMVJUADUEI-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

2-[2-(2-methoxyethyl)anilino]cyclopentan-1-ol
CID 102905089
2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 102848912
N-cyclobutyl-2-(2-methoxyethyl)aniline
CID 102848928
2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757471
N-(4-ethylcyclohexyl)-2-(2-methoxyethyl)aniline
CID 102903852
N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine
CID 102849048
1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine
CID 102903718
trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol
CID 94220692
N-(2-cyclopropylethyl)-2-(2-methoxyethyl)aniline
CID 102847355
N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline
CID 102903864
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
2-ethyl-N-(2-methylcyclohexyl)aniline
CID 43095688

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline (CID 102903890) is 2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline is COCCc1ccccc1NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is NOCIDMVJUADUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-21-11-10-12-6-2-4-8-14(12)20-15-9-5-3-7-13(15)16(17,18)19/h2,4,6,8,13,15,20H,3,5,7,9-11H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline?
2-(2-methoxyethyl)-N-[2-(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-[2-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 102903890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).