5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine

C15H15F3N2O — CID 80738994

IUPAC5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine
SMILESCOc1cc(N)cc(Nc2cc(C(F)(F)F)ccc2C)c1
InChIInChI=1S/C15H15F3N2O/c1-9-3-4-10(15(16,17)18)5-14(9)20-12-6-11(19)7-13(8-12)21-2/h3-8,20H,19H2,1-2H3
InChIKeyGAMVEQPKMQSUMU-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.35
Rot. Bonds3

About 5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine

5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine (PubChem CID 80738994) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine
PubChem CID80738994
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine
SMILESCOc1cc(N)cc(Nc2cc(C(F)(F)F)ccc2C)c1
InChIInChI=1S/C15H15F3N2O/c1-9-3-4-10(15(16,17)18)5-14(9)20-12-6-11(19)7-13(8-12)21-2/h3-8,20H,19H2,1-2H3
InChIKeyGAMVEQPKMQSUMU-UHFFFAOYSA-N
XLogP4.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-methoxybenzene-1,3-diamine
CID 80739420
3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 80722407
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 80722727
3-N-(2-chloro-3-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 114251434
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
3-N-(2-chloro-4-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 80723730
N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 69057355
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
3-N-(3,4-difluorophenyl)-5-methoxybenzene-1,3-diamine
CID 80722910
2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine
CID 113367381
4-iodo-1-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 66480127
4-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115469106

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine?
The IUPAC name of 5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine (CID 80738994) is 5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine?
The canonical SMILES for 5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine is COc1cc(N)cc(Nc2cc(C(F)(F)F)ccc2C)c1.
What is the InChIKey of 5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine?
The InChIKey is GAMVEQPKMQSUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-9-3-4-10(15(16,17)18)5-14(9)20-12-6-11(19)7-13(8-12)21-2/h3-8,20H,19H2,1-2H3.
What are the key properties of 5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine?
5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine has a molecular weight of 296.29 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 80738994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).