N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine

C16H19F3N2 — CID 79109475

IUPACN-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(NC)c1ccn(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H19F3N2/c1-3-15(20-2)13-7-8-21(11-13)10-12-5-4-6-14(9-12)16(17,18)19/h4-9,11,15,20H,3,10H2,1-2H3
InChIKeyMGRRGVPHFPGRRR-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.23
Rot. Bonds5

About N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine

N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79109475) has the molecular formula C16H19F3N2 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79109475
Molecular FormulaC16H19F3N2
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(NC)c1ccn(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H19F3N2/c1-3-15(20-2)13-7-8-21(11-13)10-12-5-4-6-14(9-12)16(17,18)19/h4-9,11,15,20H,3,10H2,1-2H3
InChIKeyMGRRGVPHFPGRRR-UHFFFAOYSA-N
XLogP4.23
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]butan-1-amine
CID 79108042
1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-3-yl]-N-methylpropan-1-amine
CID 116790177
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 107883348
3-[[3-[1-(methylamino)butyl]pyrrol-1-yl]methyl]benzonitrile
CID 79108784
N-methyl-1-[1-[(3-nitrophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109371
1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 115830875
N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
CID 62731966
1-[1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 106265038
2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79105506
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109370
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-1-ium bromide
CID 86655189
1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79105867

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine (CID 79109475) is N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine is CCC(NC)c1ccn(Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is MGRRGVPHFPGRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2/c1-3-15(20-2)13-7-8-21(11-13)10-12-5-4-6-14(9-12)16(17,18)19/h4-9,11,15,20H,3,10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine?
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 296.34 g/mol, XLogP of 4.23, 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-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79109475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).