2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine

C16H22F3NO — CID 45253532

IUPAC2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CCC(OCC(N)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F3NO/c1-11-5-7-14(8-6-11)21-10-15(20)12-3-2-4-13(9-12)16(17,18)19/h2-4,9,11,14-15H,5-8,10,20H2,1H3
InChIKeyGCJUFUPSAQMJDH-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.30
Rot. Bonds4

About 2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine

2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 45253532) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID45253532
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CCC(OCC(N)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F3NO/c1-11-5-7-14(8-6-11)21-10-15(20)12-3-2-4-13(9-12)16(17,18)19/h2-4,9,11,14-15H,5-8,10,20H2,1H3
InChIKeyGCJUFUPSAQMJDH-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43093849
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl] 2,2,2-trifluoroacetate
CID 87099816
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62122833
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107188498
(4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65423947
N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65412962

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 45253532) is 2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine is CC1CCC(OCC(N)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is GCJUFUPSAQMJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-11-5-7-14(8-6-11)21-10-15(20)12-3-2-4-13(9-12)16(17,18)19/h2-4,9,11,14-15H,5-8,10,20H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine?
2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 301.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 45253532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).