N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine

C15H28F3NO — CID 62724375

IUPACN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C15H28F3NO/c1-13(2)19-11-14(7-4-3-5-8-14)9-6-10-20-12-15(16,17)18/h13,19H,3-12H2,1-2H3
InChIKeyAJARSMVTQDDYPN-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.29
Rot. Bonds8

About N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine

N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 62724375) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine
PubChem CID62724375
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C15H28F3NO/c1-13(2)19-11-14(7-4-3-5-8-14)9-6-10-20-12-15(16,17)18/h13,19H,3-12H2,1-2H3
InChIKeyAJARSMVTQDDYPN-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.29
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 N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine (CID 62724375) is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(CCCOCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is AJARSMVTQDDYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-13(2)19-11-14(7-4-3-5-8-14)9-6-10-20-12-15(16,17)18/h13,19H,3-12H2,1-2H3.
What are the key properties of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine?
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62724375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).