N-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline

C24H24F3NO3 — CID 142218080

IUPACN-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline
SMILESCCN(Cc1cccc(-c2ccc(OC)c(OC)c2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H24F3NO3/c1-4-28(20-9-11-21(12-10-20)31-24(25,26)27)16-17-6-5-7-18(14-17)19-8-13-22(29-2)23(15-19)30-3/h5-15H,4,16H2,1-3H3
InChIKeyFTDIVPUUBVHCQY-UHFFFAOYSA-N
MW431.45 g/mol
LogP6.30
Rot. Bonds8

About N-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline

N-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline (PubChem CID 142218080) has the molecular formula C24H24F3NO3 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline
PubChem CID142218080
Molecular FormulaC24H24F3NO3
Molecular Weight431.45 g/mol
Exact Mass431.17
IUPAC NameN-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline
SMILESCCN(Cc1cccc(-c2ccc(OC)c(OC)c2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H24F3NO3/c1-4-28(20-9-11-21(12-10-20)31-24(25,26)27)16-17-6-5-7-18(14-17)19-8-13-22(29-2)23(15-19)30-3/h5-15H,4,16H2,1-3H3
InChIKeyFTDIVPUUBVHCQY-UHFFFAOYSA-N
XLogP6.30
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline?
The IUPAC name of N-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline (CID 142218080) is N-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline is CCN(Cc1cccc(-c2ccc(OC)c(OC)c2)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline?
The InChIKey is FTDIVPUUBVHCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO3/c1-4-28(20-9-11-21(12-10-20)31-24(25,26)27)16-17-6-5-7-18(14-17)19-8-13-22(29-2)23(15-19)30-3/h5-15H,4,16H2,1-3H3.
What are the key properties of N-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline?
N-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline has a molecular weight of 431.45 g/mol, XLogP of 6.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethoxyphenyl)phenyl]methyl]-N-ethyl-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 142218080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).