3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline

C35H31ClFNO2 — CID 141297997

IUPAC3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline
SMILESCCOc1cccc(-c2c(-c3cccc(F)c3)cc(-c3cccc(Cl)c3)c(-c3cccc(N(C)C)c3)c2OC)c1
InChIInChI=1S/C35H31ClFNO2/c1-5-40-30-17-9-13-26(21-30)34-32(24-11-7-15-28(37)19-24)22-31(23-10-6-14-27(36)18-23)33(35(34)39-4)25-12-8-16-29(20-25)38(2)3/h6-22H,5H2,1-4H3
InChIKeyXGZPNENBDKSEQE-UHFFFAOYSA-N
MW552.09 g/mol
LogP9.62
Rot. Bonds8

About 3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline

3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline (PubChem CID 141297997) has the molecular formula C35H31ClFNO2 and a molecular weight of 552.09 g/mol. Its IUPAC name is 3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline
PubChem CID141297997
Molecular FormulaC35H31ClFNO2
Molecular Weight552.09 g/mol
Exact Mass551.20
IUPAC Name3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline
SMILESCCOc1cccc(-c2c(-c3cccc(F)c3)cc(-c3cccc(Cl)c3)c(-c3cccc(N(C)C)c3)c2OC)c1
InChIInChI=1S/C35H31ClFNO2/c1-5-40-30-17-9-13-26(21-30)34-32(24-11-7-15-28(37)19-24)22-31(23-10-6-14-27(36)18-23)33(35(34)39-4)25-12-8-16-29(20-25)38(2)3/h6-22H,5H2,1-4H3
InChIKeyXGZPNENBDKSEQE-UHFFFAOYSA-N
XLogP9.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.09
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline 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

6-[5-[(3-chlorophenyl)methoxy]-2-methoxyphenyl]-5-[(5-fluoro-2-methylphenoxy)methyl]-2,2,4-trimethyl-1H-quinoline
CID 58027175
4-[5-(4-methoxyphenyl)-10-(trifluoromethyl)-6-oxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaen-5-yl]-N,N-dimethylaniline
CID 59227591
4-Chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158888783
3-(3-Chlorophenyl)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]pyrrolidine
CID 144958828
1-[4-[3-(3-Chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine
CID 22624719
1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine
CID 22624739
1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-2-yl]naphthalen-1-yl]piperidine
CID 53721178
1-[3-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)benzo[f]chromen-6-yl]-3,4-dihydro-2H-quinoline
CID 54255145
1-[4-Chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine
CID 123527892
1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine
CID 158153442
1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N,N,2-trimethyl-4-propan-2-ylaniline
CID 159515895
1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene
CID 159578970

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline?
The IUPAC name of 3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline (CID 141297997) is 3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline is CCOc1cccc(-c2c(-c3cccc(F)c3)cc(-c3cccc(Cl)c3)c(-c3cccc(N(C)C)c3)c2OC)c1.
What is the InChIKey of 3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline?
The InChIKey is XGZPNENBDKSEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31ClFNO2/c1-5-40-30-17-9-13-26(21-30)34-32(24-11-7-15-28(37)19-24)22-31(23-10-6-14-27(36)18-23)33(35(34)39-4)25-12-8-16-29(20-25)38(2)3/h6-22H,5H2,1-4H3.
What are the key properties of 3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline?
3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline has a molecular weight of 552.09 g/mol, XLogP of 9.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-chlorophenyl)-3-(3-ethoxyphenyl)-4-(3-fluorophenyl)-2-methoxyphenyl]-N,N-dimethylaniline is sourced from PubChem (CID 141297997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).