N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine

C23H24F4N2O — CID 7289252

IUPACN-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCOCCN(Cc1cccc(F)c1)Cc1cccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H24F4N2O/c1-30-12-11-28(15-19-6-3-8-21(24)14-19)17-22-9-4-10-29(22)16-18-5-2-7-20(13-18)23(25,26)27/h2-10,13-14H,11-12,15-17H2,1H3
InChIKeyUGIGDCYWOZJLSF-UHFFFAOYSA-N
MW420.45 g/mol
LogP5.34
Rot. Bonds9

About N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine

N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine (PubChem CID 7289252) has the molecular formula C23H24F4N2O and a molecular weight of 420.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine
PubChem CID7289252
Molecular FormulaC23H24F4N2O
Molecular Weight420.45 g/mol
Exact Mass420.18
IUPAC NameN-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCOCCN(Cc1cccc(F)c1)Cc1cccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H24F4N2O/c1-30-12-11-28(15-19-6-3-8-21(24)14-19)17-22-9-4-10-29(22)16-18-5-2-7-20(13-18)23(25,26)27/h2-10,13-14H,11-12,15-17H2,1H3
InChIKeyUGIGDCYWOZJLSF-UHFFFAOYSA-N
XLogP5.34
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine with MolForge

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Related Compounds

3-[[3-methoxypropyl-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]amino]methyl]benzonitrile
CID 42795209
N-[(3-fluorophenyl)methyl]-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine
CID 7271677
(2S)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]propan-2-ol
CID 7237475
N-[(3,5-difluorophenyl)methyl]-3-methoxy-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 42797612
N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 42797080
(2S)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 7495557
(2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]pentan-2-ol
CID 7399345
N-[2-[benzyl-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 4237805
N-(2-methoxyethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 3582787
N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 7296815
N-(2-methoxyethyl)-3-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]butanamide
CID 3518515
3-chloro-N-(2-methoxyethyl)-2,2-dimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide
CID 4031633

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine (CID 7289252) is N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine is COCCN(Cc1cccc(F)c1)Cc1cccn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine?
The InChIKey is UGIGDCYWOZJLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O/c1-30-12-11-28(15-19-6-3-8-21(24)14-19)17-22-9-4-10-29(22)16-18-5-2-7-20(13-18)23(25,26)27/h2-10,13-14H,11-12,15-17H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine?
N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine has a molecular weight of 420.45 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 7289252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).