4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine

C23H24F3N3O4 — CID 163722931

IUPAC4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine
SMILESCOc1cc(OC)c(-c2cc(-c3cc(C(F)(F)F)c(OC)cc3OC)c(N)cc2N)cc1N
InChIInChI=1S/C23H24F3N3O4/c1-30-19-9-21(32-3)15(23(24,25)26)6-13(19)11-5-12(17(28)8-16(11)27)14-7-18(29)22(33-4)10-20(14)31-2/h5-10H,27-29H2,1-4H3
InChIKeyKTCZVWDEPUODGT-UHFFFAOYSA-N
MW463.46 g/mol
LogP4.82
Rot. Bonds6

About 4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine

4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine (PubChem CID 163722931) has the molecular formula C23H24F3N3O4 and a molecular weight of 463.46 g/mol. Its IUPAC name is 4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine
PubChem CID163722931
Molecular FormulaC23H24F3N3O4
Molecular Weight463.46 g/mol
Exact Mass463.17
IUPAC Name4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine
SMILESCOc1cc(OC)c(-c2cc(-c3cc(C(F)(F)F)c(OC)cc3OC)c(N)cc2N)cc1N
InChIInChI=1S/C23H24F3N3O4/c1-30-19-9-21(32-3)15(23(24,25)26)6-13(19)11-5-12(17(28)8-16(11)27)14-7-18(29)22(33-4)10-20(14)31-2/h5-10H,27-29H2,1-4H3
InChIKeyKTCZVWDEPUODGT-UHFFFAOYSA-N
XLogP4.82
TPSA114.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene
CID 131371239
2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine
CID 162535431
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
methyl 4-amino-5-methoxy-2-(trifluoromethyl)benzoate
CID 67254453
1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
CID 135743171
5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline
CID 63599659
4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline
CID 166784771
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576
5-methoxy-2-methyl-4-(trifluoromethyl)phenol
CID 142839437
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 87877149
[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171020934

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine?
The IUPAC name of 4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine (CID 163722931) is 4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine?
The canonical SMILES for 4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine is COc1cc(OC)c(-c2cc(-c3cc(C(F)(F)F)c(OC)cc3OC)c(N)cc2N)cc1N.
What is the InChIKey of 4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine?
The InChIKey is KTCZVWDEPUODGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O4/c1-30-19-9-21(32-3)15(23(24,25)26)6-13(19)11-5-12(17(28)8-16(11)27)14-7-18(29)22(33-4)10-20(14)31-2/h5-10H,27-29H2,1-4H3.
What are the key properties of 4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine?
4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine has a molecular weight of 463.46 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2,4-dimethoxyphenyl)-6-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 163722931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).