N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine

C11H17F3N2 — CID 115515157

IUPACN-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine
SMILESCNC(C)c1ccn(CCCC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2/c1-9(15-2)10-4-7-16(8-10)6-3-5-11(12,13)14/h4,7-9,15H,3,5-6H2,1-2H3
InChIKeyJOQRDNVOVOUABJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.11
Rot. Bonds5

About N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine

N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine (PubChem CID 115515157) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine
PubChem CID115515157
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC NameN-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine
SMILESCNC(C)c1ccn(CCCC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2/c1-9(15-2)10-4-7-16(8-10)6-3-5-11(12,13)14/h4,7-9,15H,3,5-6H2,1-2H3
InChIKeyJOQRDNVOVOUABJ-UHFFFAOYSA-N
XLogP3.11
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]ethanamine
CID 79098535
N-ethyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]propan-1-amine
CID 113326680
6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol
CID 107705862
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine
CID 115518233
N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine
CID 79098439
N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine
CID 79099719
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]ethanamine
CID 115515148
N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
CID 79097392
N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
CID 79097299
[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanamine
CID 115515089
1-cyclopropyl-1-[1-(4,4-dimethylpentyl)pyrrol-3-yl]-N-methylmethanamine
CID 114209707
N-[1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099551

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine (CID 115515157) is N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine is CNC(C)c1ccn(CCCC(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine?
The InChIKey is JOQRDNVOVOUABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-9(15-2)10-4-7-16(8-10)6-3-5-11(12,13)14/h4,7-9,15H,3,5-6H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine?
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine has a molecular weight of 234.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 115515157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).