2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline

C16H22F3NO — CID 64759426

IUPAC2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
SMILESCCOc1cc(C)ccc1NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-3-21-15-9-11(2)7-8-14(15)20-13-6-4-5-12(10-13)16(17,18)19/h7-9,12-13,20H,3-6,10H2,1-2H3
InChIKeyGDHKHXBPBIRIHX-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.93
Rot. Bonds4

About 2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline

2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64759426) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64759426
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
SMILESCCOc1cc(C)ccc1NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-3-21-15-9-11(2)7-8-14(15)20-13-6-4-5-12(10-13)16(17,18)19/h7-9,12-13,20H,3-6,10H2,1-2H3
InChIKeyGDHKHXBPBIRIHX-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63453509
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline
CID 64501327
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083052
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
5-bromo-4-fluoro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 107591458
2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 102848912
N-(3,5-dimethylcyclohexyl)-4-methyl-2-propoxyaniline
CID 64753195
4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline
CID 103561671
2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758818
N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530961

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline (CID 64759426) is 2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline is CCOc1cc(C)ccc1NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is GDHKHXBPBIRIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-3-21-15-9-11(2)7-8-14(15)20-13-6-4-5-12(10-13)16(17,18)19/h7-9,12-13,20H,3-6,10H2,1-2H3.
What are the key properties of 2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline?
2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 301.35 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64759426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).