4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine

C11H20F3NO2 — CID 163294893

IUPAC4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC(C)COC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C11H20F3NO2/c1-8(16-2)7-17-10(11(12,13)14)5-3-9(15)4-6-10/h8-9H,3-7,15H2,1-2H3
InChIKeyBKALSYKSNQUDIM-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.24
Rot. Bonds4

About 4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine

4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 163294893) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID163294893
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC(C)COC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C11H20F3NO2/c1-8(16-2)7-17-10(11(12,13)14)5-3-9(15)4-6-10/h8-9H,3-7,15H2,1-2H3
InChIKeyBKALSYKSNQUDIM-UHFFFAOYSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 71246268
4-Ethoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 97179628
3-(4-Aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol
CID 121379117
4-Hexoxy-3-(trifluoromethyl)cyclohexan-1-amine
CID 123640175
3-(4-Aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride
CID 129247859
4-(2-Methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 163294943
4,4-Difluoro-1-oxaspiro[4.5]decan-8-amine;ethane
CID 163295550
2-[4-Amino-1-(trifluoromethyl)cyclohexyl]oxyethanol
CID 163295566
4-(Difluoromethyl)-4-methoxycyclohexan-1-amine
CID 163295995
3,3-Difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane
CID 163296024
4-(2-Aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 167064930
(2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol
CID 167374985

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine (CID 163294893) is 4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine is COC(C)COC1(C(F)(F)F)CCC(N)CC1.
What is the InChIKey of 4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BKALSYKSNQUDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8(16-2)7-17-10(11(12,13)14)5-3-9(15)4-6-10/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 255.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropoxy)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 163294893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).