N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine

C11H20F3NO — CID 62109244

IUPACN-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
SMILESCNCC1(OCC(F)(F)F)CCCCCC1
InChIInChI=1S/C11H20F3NO/c1-15-8-10(16-9-11(12,13)14)6-4-2-3-5-7-10/h15H,2-9H2,1H3
InChIKeyAZKFHSATGYRNFB-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds4

About N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine

N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine (PubChem CID 62109244) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
PubChem CID62109244
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
SMILESCNCC1(OCC(F)(F)F)CCCCCC1
InChIInChI=1S/C11H20F3NO/c1-15-8-10(16-9-11(12,13)14)6-4-2-3-5-7-10/h15H,2-9H2,1H3
InChIKeyAZKFHSATGYRNFB-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036821
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol
CID 60728909
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-1-amine
CID 62109240
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]ethanamine
CID 62109245
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine
CID 62109404
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 62109405
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62110251
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110412
1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine
CID 62110922
N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62111258

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine?
The IUPAC name of N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine (CID 62109244) is N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine is CNCC1(OCC(F)(F)F)CCCCCC1.
What is the InChIKey of N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine?
The InChIKey is AZKFHSATGYRNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-15-8-10(16-9-11(12,13)14)6-4-2-3-5-7-10/h15H,2-9H2,1H3.
What are the key properties of N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine?
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine is sourced from PubChem (CID 62109244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).