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

C15H23F3N2O — CID 83210058

IUPACN-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCCCNC1CCCCc2cn(CCOC(F)(F)F)cc21
InChIInChI=1S/C15H23F3N2O/c1-2-7-19-14-6-4-3-5-12-10-20(11-13(12)14)8-9-21-15(16,17)18/h10-11,14,19H,2-9H2,1H3
InChIKeyDTFSOIAKVBWOPR-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.79
Rot. Bonds6

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

N-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83210058) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound NameN-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83210058
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCCCNC1CCCCc2cn(CCOC(F)(F)F)cc21
InChIInChI=1S/C15H23F3N2O/c1-2-7-19-14-6-4-3-5-12-10-20(11-13(12)14)8-9-21-15(16,17)18/h10-11,14,19H,2-9H2,1H3
InChIKeyDTFSOIAKVBWOPR-UHFFFAOYSA-N
XLogP3.79
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.79
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-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of N-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83210058) is N-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for N-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for N-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is CCCNC1CCCCc2cn(CCOC(F)(F)F)cc21.
What is the InChIKey of N-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is DTFSOIAKVBWOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-2-7-19-14-6-4-3-5-12-10-20(11-13(12)14)8-9-21-15(16,17)18/h10-11,14,19H,2-9H2,1H3.
What are the key properties of N-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
N-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 304.36 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83210058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).