4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline

C19H22F3NO2 — CID 58877126

IUPAC4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline
SMILESCCOC(OCC)c1ccc(Nc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C19H22F3NO2/c1-4-24-18(25-5-2)17-10-9-16(11-13(17)3)23-15-8-6-7-14(12-15)19(20,21)22/h6-12,18,23H,4-5H2,1-3H3
InChIKeyBFTJXMJGZGRGNB-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.83
Rot. Bonds7

About 4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline

4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 58877126) has the molecular formula C19H22F3NO2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline
PubChem CID58877126
Molecular FormulaC19H22F3NO2
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Name4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline
SMILESCCOC(OCC)c1ccc(Nc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C19H22F3NO2/c1-4-24-18(25-5-2)17-10-9-16(11-13(17)3)23-15-8-6-7-14(12-15)19(20,21)22/h6-12,18,23H,4-5H2,1-3H3
InChIKeyBFTJXMJGZGRGNB-UHFFFAOYSA-N
XLogP5.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline 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

1-(diethoxymethyl)-2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 159790830
2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile
CID 81278129
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
3-ethoxy-4-[3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 18473839
6-ethoxy-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80737984
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 53276238
N-(3,3-diethoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 172894057
6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 50877956
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387
N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
CID 142703833

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline (CID 58877126) is 4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline is CCOC(OCC)c1ccc(Nc2cccc(C(F)(F)F)c2)cc1C.
What is the InChIKey of 4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is BFTJXMJGZGRGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO2/c1-4-24-18(25-5-2)17-10-9-16(11-13(17)3)23-15-8-6-7-14(12-15)19(20,21)22/h6-12,18,23H,4-5H2,1-3H3.
What are the key properties of 4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline?
4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 353.38 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 58877126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).