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

C16H30F3NO — CID 81028555

IUPAC2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-13(2)10-20-11-15-7-4-3-6-14(15)8-5-9-21-12-16(17,18)19/h13-15,20H,3-12H2,1-2H3
InChIKeyMCFKTIXNDXRXAH-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.40
Rot. Bonds9

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

2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 81028555) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine
PubChem CID81028555
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Name2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-13(2)10-20-11-15-7-4-3-6-14(15)8-5-9-21-12-16(17,18)19/h13-15,20H,3-12H2,1-2H3
InChIKeyMCFKTIXNDXRXAH-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.40
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-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine (CID 81028555) is 2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine is CC(C)CNCC1CCCCC1CCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is MCFKTIXNDXRXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-13(2)10-20-11-15-7-4-3-6-14(15)8-5-9-21-12-16(17,18)19/h13-15,20H,3-12H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine?
2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 309.42 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81028555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).