4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine

C12H22F3NO — CID 116766176

IUPAC4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
SMILESCOC1(C(N)CCC(F)(F)F)CCC(C)CC1
InChIInChI=1S/C12H22F3NO/c1-9-3-6-11(17-2,7-4-9)10(16)5-8-12(13,14)15/h9-10H,3-8,16H2,1-2H3
InChIKeyASEBLOBIEUMTHS-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.25
Rot. Bonds4

About 4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine

4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine (PubChem CID 116766176) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
PubChem CID116766176
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
SMILESCOC1(C(N)CCC(F)(F)F)CCC(C)CC1
InChIInChI=1S/C12H22F3NO/c1-9-3-6-11(17-2,7-4-9)10(16)5-8-12(13,14)15/h9-10H,3-8,16H2,1-2H3
InChIKeyASEBLOBIEUMTHS-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 104932362
1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766098
5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine
CID 116764437
1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine
CID 116766221
1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol
CID 116754445
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
CID 116768604
3-cyclopropyl-1-(1-methoxycyclohexyl)propan-1-amine
CID 116762659
1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
CID 116754485
4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine
CID 103036106
1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 116766229
2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 107309128
1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 116766322

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine (CID 116766176) is 4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine is COC1(C(N)CCC(F)(F)F)CCC(C)CC1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine?
The InChIKey is ASEBLOBIEUMTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9-3-6-11(17-2,7-4-9)10(16)5-8-12(13,14)15/h9-10H,3-8,16H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine?
4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine is sourced from PubChem (CID 116766176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).