3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine

C11H20F3NO — CID 84736843

IUPAC3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCOC1(C(F)(F)F)CCC(CCCN)CC1
InChIInChI=1S/C11H20F3NO/c1-16-10(11(12,13)14)6-4-9(5-7-10)3-2-8-15/h9H,2-8,15H2,1H3
InChIKeyMYTOLXKXIFXPDB-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds4

About 3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine

3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 84736843) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID84736843
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCOC1(C(F)(F)F)CCC(CCCN)CC1
InChIInChI=1S/C11H20F3NO/c1-16-10(11(12,13)14)6-4-9(5-7-10)3-2-8-15/h9H,2-8,15H2,1H3
InChIKeyMYTOLXKXIFXPDB-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-amine
CID 121203267
3-cyclohexylpropan-1-amine;ethane
CID 143945055
3-(4-fluorocyclohexyl)propan-1-amine
CID 84731480
4-(3-aminopropyl)cyclohexan-1-amine
CID 22292235
2-(4-fluoro-4-methylcyclohexyl)ethanamine
CID 84650939
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282
(1-methoxy-4-propylcycloheptyl)methanamine
CID 66073417
3-(1-oxidopyrrolidin-1-ium-3-yl)propan-1-amine
CID 90229187
(4,4-dimethoxycyclohexyl)methanamine
CID 83695645
3-(3-methylcyclobutyl)propan-1-amine
CID 119055095
[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine
CID 62739053
4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 114225527

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The IUPAC name of 3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 84736843) is 3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for 3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for 3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine is COC1(C(F)(F)F)CCC(CCCN)CC1.
What is the InChIKey of 3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is MYTOLXKXIFXPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-16-10(11(12,13)14)6-4-9(5-7-10)3-2-8-15/h9H,2-8,15H2,1H3.
What are the key properties of 3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine?
3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 84736843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).