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

C16H30F3NO — CID 62724788

IUPAC2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C16H30F3NO/c1-14(2,3)20-12-15(8-5-4-6-9-15)10-7-11-21-13-16(17,18)19/h20H,4-13H2,1-3H3
InChIKeyJDPUUELSLFXWAS-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.68
Rot. Bonds7

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

2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 62724788) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine
PubChem CID62724788
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Name2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C16H30F3NO/c1-14(2,3)20-12-15(8-5-4-6-9-15)10-7-11-21-13-16(17,18)19/h20H,4-13H2,1-3H3
InChIKeyJDPUUELSLFXWAS-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.68
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 2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine (CID 62724788) is 2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine is CC(C)(C)NCC1(CCCOCC(F)(F)F)CCCCC1.
What is the InChIKey of 2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is JDPUUELSLFXWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-14(2,3)20-12-15(8-5-4-6-9-15)10-7-11-21-13-16(17,18)19/h20H,4-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 309.42 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62724788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).