N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine

C23H27FN2O — CID 42797081

IUPACN-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine
SMILESCOCCN(Cc1cccn1Cc1ccc(F)cc1)C(C)c1ccccc1
InChIInChI=1S/C23H27FN2O/c1-19(21-7-4-3-5-8-21)25(15-16-27-2)18-23-9-6-14-26(23)17-20-10-12-22(24)13-11-20/h3-14,19H,15-18H2,1-2H3
InChIKeySJDMYSUTNPHIIS-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.89
Rot. Bonds9

About N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine

N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine (PubChem CID 42797081) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine
PubChem CID42797081
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine
SMILESCOCCN(Cc1cccn1Cc1ccc(F)cc1)C(C)c1ccccc1
InChIInChI=1S/C23H27FN2O/c1-19(21-7-4-3-5-8-21)25(15-16-27-2)18-23-9-6-14-26(23)17-20-10-12-22(24)13-11-20/h3-14,19H,15-18H2,1-2H3
InChIKeySJDMYSUTNPHIIS-UHFFFAOYSA-N
XLogP4.89
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine
CID 42797077
(2R)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]pentan-2-ol
CID 93116158
(2R)-N-[(4-fluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutan-2-amine
CID 93116782
N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 42797080
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)acetamide
CID 42762644
N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 7226372
N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide
CID 42762712
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 3269455
N-[(1-benzylpyrrol-2-yl)methyl]-4-fluoro-N-propan-2-ylbenzamide
CID 3915866
1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 42666530
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3975085
N-[(1-benzylpyrrol-2-yl)methyl]-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-propan-2-ylacetamide
CID 3920695

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine (CID 42797081) is N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine is COCCN(Cc1cccn1Cc1ccc(F)cc1)C(C)c1ccccc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine?
The InChIKey is SJDMYSUTNPHIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-19(21-7-4-3-5-8-21)25(15-16-27-2)18-23-9-6-14-26(23)17-20-10-12-22(24)13-11-20/h3-14,19H,15-18H2,1-2H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine?
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine has a molecular weight of 366.48 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine is sourced from PubChem (CID 42797081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).