N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C13H19F3N2O — CID 106705511

IUPACN-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2cn(COCC(F)(F)F)cc21
InChIInChI=1S/C13H19F3N2O/c1-17-12-5-3-2-4-10-6-18(7-11(10)12)9-19-8-13(14,15)16/h6-7,12,17H,2-5,8-9H2,1H3
InChIKeyNSALMJJVIHEVPS-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.01
Rot. Bonds4

About N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 106705511) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID106705511
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2cn(COCC(F)(F)F)cc21
InChIInChI=1S/C13H19F3N2O/c1-17-12-5-3-2-4-10-6-18(7-11(10)12)9-19-8-13(14,15)16/h6-7,12,17H,2-5,8-9H2,1H3
InChIKeyNSALMJJVIHEVPS-UHFFFAOYSA-N
XLogP3.01
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine
CID 55295562
1-[1-Methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine
CID 55298010
N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine
CID 79105244
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine
CID 79105857
N-ethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79107972
N-propyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108071
1-[1-[3-(2,2,2-Trifluoroethoxy)propyl]pyrrol-3-yl]butan-1-amine
CID 79108072
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108451
N-ethyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108461
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108606
N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108808
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]butan-1-amine
CID 79109554

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 106705511) is N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is CNC1CCCCc2cn(COCC(F)(F)F)cc21.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is NSALMJJVIHEVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-17-12-5-3-2-4-10-6-18(7-11(10)12)9-19-8-13(14,15)16/h6-7,12,17H,2-5,8-9H2,1H3.
What are the key properties of N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 276.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 106705511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).