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

C14H21F3N2O — CID 83212506

IUPACN-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCCNC1CCCCc2cn(CCOC(F)(F)F)cc21
InChIInChI=1S/C14H21F3N2O/c1-2-18-13-6-4-3-5-11-9-19(10-12(11)13)7-8-20-14(15,16)17/h9-10,13,18H,2-8H2,1H3
InChIKeyQKSBDDRKYWZUIJ-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.40
Rot. Bonds5

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

N-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83212506) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83212506
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCCNC1CCCCc2cn(CCOC(F)(F)F)cc21
InChIInChI=1S/C14H21F3N2O/c1-2-18-13-6-4-3-5-11-9-19(10-12(11)13)7-8-20-14(15,16)17/h9-10,13,18H,2-8H2,1H3
InChIKeyQKSBDDRKYWZUIJ-UHFFFAOYSA-N
XLogP3.40
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(Trifluoromethoxy)ethyl]pyrrol-3-yl]butan-2-amine
CID 66399288
1-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyrrol-3-yl]butan-2-amine
CID 66399908
1-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyrrol-3-yl]propan-2-amine
CID 66404472
1-[1-[2-(Trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine
CID 66406912
N,2-dimethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]propan-1-amine
CID 79097047
N,2-dimethyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine
CID 79097051
2-Methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]propan-1-amine
CID 79097281
2-Methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine
CID 79097368
N-ethyl-2-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]propan-1-amine
CID 79097390
N-ethyl-2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine
CID 79097641
2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine
CID 79097823
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine
CID 79098656

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of N-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83212506) is N-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for N-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for N-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is CCNC1CCCCc2cn(CCOC(F)(F)F)cc21.
What is the InChIKey of N-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is QKSBDDRKYWZUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-2-18-13-6-4-3-5-11-9-19(10-12(11)13)7-8-20-14(15,16)17/h9-10,13,18H,2-8H2,1H3.
What are the key properties of N-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
N-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 290.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83212506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).