2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine

C12H22F3NO — CID 62111254

IUPAC2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(OCC(F)(F)F)CCCC1
InChIInChI=1S/C12H22F3NO/c1-10(2,3)16-8-11(6-4-5-7-11)17-9-12(13,14)15/h16H,4-9H2,1-3H3
InChIKeyMRQNPUCMQFRMLT-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds4

About 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine

2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine (PubChem CID 62111254) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
PubChem CID62111254
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(OCC(F)(F)F)CCCC1
InChIInChI=1S/C12H22F3NO/c1-10(2,3)16-8-11(6-4-5-7-11)17-9-12(13,14)15/h16H,4-9H2,1-3H3
InChIKeyMRQNPUCMQFRMLT-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine (CID 62111254) is 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine is CC(C)(C)NCC1(OCC(F)(F)F)CCCC1.
What is the InChIKey of 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine?
The InChIKey is MRQNPUCMQFRMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2,3)16-8-11(6-4-5-7-11)17-9-12(13,14)15/h16H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine?
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 62111254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).