N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C15H28F3NO — CID 103215474

IUPACN-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C15H28F3NO/c1-4-7-19-14(9-20-10-15(16,17)18)13-6-5-11(2)12(3)8-13/h11-14,19H,4-10H2,1-3H3
InChIKeyHXGRCDWQLHIVBM-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.01
Rot. Bonds7

About N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103215474) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103215474
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C15H28F3NO/c1-4-7-19-14(9-20-10-15(16,17)18)13-6-5-11(2)12(3)8-13/h11-14,19H,4-10H2,1-3H3
InChIKeyHXGRCDWQLHIVBM-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103215474) is N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)C1CCC(C)C(C)C1.
What is the InChIKey of N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is HXGRCDWQLHIVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-4-7-19-14(9-20-10-15(16,17)18)13-6-5-11(2)12(3)8-13/h11-14,19H,4-10H2,1-3H3.
What are the key properties of N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103215474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).