2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine

C15H15F3N2 — CID 43436206

IUPAC2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
SMILESCc1cc(NCc2cccc(C(F)(F)F)c2)ccc1N
InChIInChI=1S/C15H15F3N2/c1-10-7-13(5-6-14(10)19)20-9-11-3-2-4-12(8-11)15(16,17)18/h2-8,20H,9,19H2,1H3
InChIKeyHRRVTDIXVGTYNZ-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.21
Rot. Bonds3

About 2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine

2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine (PubChem CID 43436206) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
PubChem CID43436206
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
SMILESCc1cc(NCc2cccc(C(F)(F)F)c2)ccc1N
InChIInChI=1S/C15H15F3N2/c1-10-7-13(5-6-14(10)19)20-9-11-3-2-4-12(8-11)15(16,17)18/h2-8,20H,9,19H2,1H3
InChIKeyHRRVTDIXVGTYNZ-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
4-iodo-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28878737
4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 29016762
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 65025403
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989
4-ethynyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 44819185
2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 66252816
N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 43758496
2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 115123885
N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide
CID 140868657
2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 106954168
2,5-dichloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 104726294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine (CID 43436206) is 2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine is Cc1cc(NCc2cccc(C(F)(F)F)c2)ccc1N.
What is the InChIKey of 2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine?
The InChIKey is HRRVTDIXVGTYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-10-7-13(5-6-14(10)19)20-9-11-3-2-4-12(8-11)15(16,17)18/h2-8,20H,9,19H2,1H3.
What are the key properties of 2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine?
2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine has a molecular weight of 280.29 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine is sourced from PubChem (CID 43436206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).