1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C14H26F3NO — CID 103148367

IUPAC1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C14H26F3NO/c1-10-4-5-12(8-11(10)2)13(18-3)6-7-19-9-14(15,16)17/h10-13,18H,4-9H2,1-3H3
InChIKeyOCLDVGJGXIJTFU-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.62
Rot. Bonds6

About 1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148367) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148367
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C14H26F3NO/c1-10-4-5-12(8-11(10)2)13(18-3)6-7-19-9-14(15,16)17/h10-13,18H,4-9H2,1-3H3
InChIKeyOCLDVGJGXIJTFU-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148367) is 1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CNC(CCOCC(F)(F)F)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is OCLDVGJGXIJTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-10-4-5-12(8-11(10)2)13(18-3)6-7-19-9-14(15,16)17/h10-13,18H,4-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).