2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine

C32H31FN2O2 — CID 155265344

IUPAC2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine
SMILESCOc1ccc(-c2c(F)c3cc(OCc4ccccc4)ccc3n2Cc2ccc(CCN)cc2)c(C)c1
InChIInChI=1S/C32H31FN2O2/c1-22-18-26(36-2)12-14-28(22)32-31(33)29-19-27(37-21-25-6-4-3-5-7-25)13-15-30(29)35(32)20-24-10-8-23(9-11-24)16-17-34/h3-15,18-19H,16-17,20-21,34H2,1-2H3
InChIKeyGWWFULCEJREGKF-UHFFFAOYSA-N
MW494.61 g/mol
LogP6.89
Rot. Bonds9

About 2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine

2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine (PubChem CID 155265344) has the molecular formula C32H31FN2O2 and a molecular weight of 494.61 g/mol. Its IUPAC name is 2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine
PubChem CID155265344
Molecular FormulaC32H31FN2O2
Molecular Weight494.61 g/mol
Exact Mass494.24
IUPAC Name2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine
SMILESCOc1ccc(-c2c(F)c3cc(OCc4ccccc4)ccc3n2Cc2ccc(CCN)cc2)c(C)c1
InChIInChI=1S/C32H31FN2O2/c1-22-18-26(36-2)12-14-28(22)32-31(33)29-19-27(37-21-25-6-4-3-5-7-25)13-15-30(29)35(32)20-24-10-8-23(9-11-24)16-17-34/h3-15,18-19H,16-17,20-21,34H2,1-2H3
InChIKeyGWWFULCEJREGKF-UHFFFAOYSA-N
XLogP6.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.61
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine 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

2-[2-[4-[[3-fluoro-2-(2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethyl]isoindole-1,3-dione
CID 139336363
2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol
CID 155265382
2-[4-[[5-butoxy-3-fluoro-2-(4-methoxy-2-methylphenyl)indol-1-yl]methyl]phenyl]-N-(2-fluoroethyl)ethanamine
CID 155635154
tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane
CID 150361755
2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole
CID 134335662
2-[4-[[3-chloro-2-(4-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]-N-ethylethanamine
CID 139336520
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889
N-[2-[4-[[5-butoxy-3-fluoro-2-(2-methoxyphenyl)indol-1-yl]methyl]phenyl]ethyl]propan-1-amine
CID 155635089
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
2-[4-[[5-butoxy-3-fluoro-2-(4-methoxyphenyl)indol-1-yl]methyl]phenyl]ethanol
CID 155635050
N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide
CID 139336695
1-benzyl-2-ethyl-5-methoxyindol-3-amine
CID 58986334

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine (CID 155265344) is 2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine is COc1ccc(-c2c(F)c3cc(OCc4ccccc4)ccc3n2Cc2ccc(CCN)cc2)c(C)c1.
What is the InChIKey of 2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine?
The InChIKey is GWWFULCEJREGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN2O2/c1-22-18-26(36-2)12-14-28(22)32-31(33)29-19-27(37-21-25-6-4-3-5-7-25)13-15-30(29)35(32)20-24-10-8-23(9-11-24)16-17-34/h3-15,18-19H,16-17,20-21,34H2,1-2H3.
What are the key properties of 2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine?
2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine has a molecular weight of 494.61 g/mol, XLogP of 6.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine is sourced from PubChem (CID 155265344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).