3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline

C16H16F3NO2 — CID 135010956

IUPAC3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESCOc1cc(N)cc(OC)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2/c1-21-14-8-12(20)9-15(22-2)13(14)7-10-3-5-11(6-4-10)16(17,18)19/h3-6,8-9H,7,20H2,1-2H3
InChIKeyAPMPMHNRWONZCP-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.90
Rot. Bonds4

About 3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline

3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 135010956) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID135010956
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESCOc1cc(N)cc(OC)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2/c1-21-14-8-12(20)9-15(22-2)13(14)7-10-3-5-11(6-4-10)16(17,18)19/h3-6,8-9H,7,20H2,1-2H3
InChIKeyAPMPMHNRWONZCP-UHFFFAOYSA-N
XLogP3.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]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

(E)-4-(3,5-Dimethoxystyryl)aniline
CID 18785180
2,4-Dimethoxy-4''-amino-trans-stilbene
CID 49799655
4-(3,5-Dimethoxyphenethyl)benzenamine
CID 14256034
4-(2,4-Dimethoxyphenyl)aniline
CID 2758412
2,4-Dimethoxy-3''-amino-trans-stilbene
CID 49799639
4,4'-Methanediylbis(3-methoxyaniline)
CID 750093
4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]aniline
CID 11747202
2-Methoxy-[1,1'-biphenyl]-4-amine
CID 521773
2,2'-Dimethoxybiphenyl-4,4'-diamine
CID 618483
3-(2,4-Dimethoxyphenyl)aniline
CID 2758411
4-Phenyl-m-anisidine hcl
CID 2760361
3,5-Dimethoxy-4-methylaniline
CID 12752288

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline (CID 135010956) is 3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline is COc1cc(N)cc(OC)c1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is APMPMHNRWONZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-21-14-8-12(20)9-15(22-2)13(14)7-10-3-5-11(6-4-10)16(17,18)19/h3-6,8-9H,7,20H2,1-2H3.
What are the key properties of 3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline?
3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 311.30 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 135010956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).