4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine

C14H26F3NO — CID 43753307

IUPAC4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
SMILESCC1CCC(C(C)C)C(OC(CCN)C(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-9(2)11-5-4-10(3)8-12(11)19-13(6-7-18)14(15,16)17/h9-13H,4-8,18H2,1-3H3
InChIKeyVVLYOJRLXPVJFI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.74
Rot. Bonds5

About 4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine

4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine (PubChem CID 43753307) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
PubChem CID43753307
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
SMILESCC1CCC(C(C)C)C(OC(CCN)C(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-9(2)11-5-4-10(3)8-12(11)19-13(6-7-18)14(15,16)17/h9-13H,4-8,18H2,1-3H3
InChIKeyVVLYOJRLXPVJFI-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Menthoxyethylamine
CID 20120097
2-[3-(1,1-Difluoroethyl)cyclohexyl]oxyethanamine
CID 170263462
[4-Tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43329417
[4-Ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43329445
[4-Propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428737
[4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428738
[4-Methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428739
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
[4-(2-Methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428742
[4-Propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428921
[4-Methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428922
[4-(2-Methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428925

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine (CID 43753307) is 4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine is CC1CCC(C(C)C)C(OC(CCN)C(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine?
The InChIKey is VVLYOJRLXPVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-9(2)11-5-4-10(3)8-12(11)19-13(6-7-18)14(15,16)17/h9-13H,4-8,18H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine?
4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine is sourced from PubChem (CID 43753307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).