2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

C10H18F3NO — CID 105165716

IUPAC2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCOCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyMZVNEIDHQBOPPM-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.33
Rot. Bonds3

About 2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105165716) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105165716
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCOCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyMZVNEIDHQBOPPM-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-Difluorocyclohexyl)-2-ethoxyethan-1-amine hydrochloride
CID 155821550
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
3-Amino-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol
CID 69826100
6-[4-(Difluoromethyl)cyclohexyl]oxan-3-amine
CID 70843048
2-Amino-5-(2-fluoro-4-methylcyclohexyl)pentan-1-ol
CID 122592121
4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16783389
[4-Propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036534
N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
4-Propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61064378
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490290

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (CID 105165716) is 2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is COCC(N)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is MZVNEIDHQBOPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h7-9H,2-6,14H2,1H3.
What are the key properties of 2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 225.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105165716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).