N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine

C22H23F3N2O — CID 42797080

IUPACN-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCN(Cc1ccc(F)c(F)c1)Cc1cccn1Cc1ccc(F)cc1
InChIInChI=1S/C22H23F3N2O/c1-28-12-11-26(14-18-6-9-21(24)22(25)13-18)16-20-3-2-10-27(20)15-17-4-7-19(23)8-5-17/h2-10,13H,11-12,14-16H2,1H3
InChIKeyBZJPQAWIIGMHJV-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.60
Rot. Bonds9

About N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine

N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 42797080) has the molecular formula C22H23F3N2O and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
PubChem CID42797080
Molecular FormulaC22H23F3N2O
Molecular Weight388.43 g/mol
Exact Mass388.18
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCN(Cc1ccc(F)c(F)c1)Cc1cccn1Cc1ccc(F)cc1
InChIInChI=1S/C22H23F3N2O/c1-28-12-11-26(14-18-6-9-21(24)22(25)13-18)16-20-3-2-10-27(20)15-17-4-7-19(23)8-5-17/h2-10,13H,11-12,14-16H2,1H3
InChIKeyBZJPQAWIIGMHJV-UHFFFAOYSA-N
XLogP4.60
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine
CID 7289252
(2R)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]pentan-2-ol
CID 93116158
N-[(3,5-difluorophenyl)methyl]-3-methoxy-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 42797612
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine
CID 42797081
1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 42666530
(2S)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]propan-2-ol
CID 7237475
N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 7296815
N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 7226372
N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine
CID 42795108
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)acetamide
CID 42762644
(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

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine (CID 42797080) is N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine is COCCN(Cc1ccc(F)c(F)c1)Cc1cccn1Cc1ccc(F)cc1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is BZJPQAWIIGMHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O/c1-28-12-11-26(14-18-6-9-21(24)22(25)13-18)16-20-3-2-10-27(20)15-17-4-7-19(23)8-5-17/h2-10,13H,11-12,14-16H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine?
N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 388.43 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 42797080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).