2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane

C20H24F3NO2 — CID 168905559

IUPAC2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane
SMILESC=Cc1c(N)cc(-c2ccc(OC(F)(F)F)cc2)c(C)c1OC.CCC
InChIInChI=1S/C17H16F3NO2.C3H8/c1-4-13-15(21)9-14(10(2)16(13)22-3)11-5-7-12(8-6-11)23-17(18,19)20;1-3-2/h4-9H,1,21H2,2-3H3;3H2,1-2H3
InChIKeySVBADYUVLRMYOS-UHFFFAOYSA-N
MW367.41 g/mol
LogP6.21
Rot. Bonds4

About 2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane

2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane (PubChem CID 168905559) has the molecular formula C20H24F3NO2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane.

Molecular Properties

Compound Name2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane
PubChem CID168905559
Molecular FormulaC20H24F3NO2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane
SMILESC=Cc1c(N)cc(-c2ccc(OC(F)(F)F)cc2)c(C)c1OC.CCC
InChIInChI=1S/C17H16F3NO2.C3H8/c1-4-13-15(21)9-14(10(2)16(13)22-3)11-5-7-12(8-6-11)23-17(18,19)20;1-3-2/h4-9H,1,21H2,2-3H3;3H2,1-2H3
InChIKeySVBADYUVLRMYOS-UHFFFAOYSA-N
XLogP6.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-2-naphthylamine
CID 151041
3-Methoxynaphthalen-1-amine
CID 15868948
4-Methoxynaphthalen-2-amine hydrochloride
CID 137698740
4-(6-Methoxynaphthalen-2-yl)-2-methylaniline
CID 61965677
3',4',5'-Trifluoro-4-methoxy-[1,1'-biphenyl]-2-amine hydrochloride
CID 146155656
3,5-Dimethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 135010956
2'-Amino-4,4'-dimethoxy[1,1'-biphenyl]-2-ylamine
CID 14008512
6-(2-Amino-4-methoxyphenyl)-2,3-dimethoxynaphthalene
CID 22716433
6-(2-Amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 23087328
1-(2-Amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine
CID 102434733
7-Methoxy-1-methylnaphthalen-2-amine
CID 115057570
(2R)-2-(2-Amino-4-methoxy-phenyl)tetralin-6-OL
CID 154681612

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane?
The IUPAC name of 2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane (CID 168905559) is 2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane.
What is the SMILES notation for 2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane?
The canonical SMILES for 2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane is C=Cc1c(N)cc(-c2ccc(OC(F)(F)F)cc2)c(C)c1OC.CCC.
What is the InChIKey of 2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane?
The InChIKey is SVBADYUVLRMYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2.C3H8/c1-4-13-15(21)9-14(10(2)16(13)22-3)11-5-7-12(8-6-11)23-17(18,19)20;1-3-2/h4-9H,1,21H2,2-3H3;3H2,1-2H3.
What are the key properties of 2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane?
2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane has a molecular weight of 367.41 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane is sourced from PubChem (CID 168905559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).