1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C14H25F4NO — CID 103475520

IUPAC1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C14H25F4NO/c1-9-4-5-11(6-10(9)2)12(19-3)7-20-8-14(17,18)13(15)16/h9-13,19H,4-8H2,1-3H3
InChIKeyBWTIFIOLXQEXMB-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.56
Rot. Bonds7

About 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475520) has the molecular formula C14H25F4NO and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475520
Molecular FormulaC14H25F4NO
Molecular Weight299.35 g/mol
Exact Mass299.19
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C14H25F4NO/c1-9-4-5-11(6-10(9)2)12(19-3)7-20-8-14(17,18)13(15)16/h9-13,19H,4-8H2,1-3H3
InChIKeyBWTIFIOLXQEXMB-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475520) is 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CNC(COCC(F)(F)C(F)F)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is BWTIFIOLXQEXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F4NO/c1-9-4-5-11(6-10(9)2)12(19-3)7-20-8-14(17,18)13(15)16/h9-13,19H,4-8H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 299.35 g/mol, XLogP of 3.56, 7 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-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).