4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine

C15H15F3N2 — CID 63050848

IUPAC4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C15H15F3N2/c1-20(2)12-5-3-11(4-6-12)19-9-10-7-13(16)15(18)14(17)8-10/h3-8,19H,9H2,1-2H3
InChIKeyCVGVTRDZHBTZHA-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.78
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine (PubChem CID 63050848) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine
PubChem CID63050848
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C15H15F3N2/c1-20(2)12-5-3-11(4-6-12)19-9-10-7-13(16)15(18)14(17)8-10/h3-8,19H,9H2,1-2H3
InChIKeyCVGVTRDZHBTZHA-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine (CID 63050848) is 4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine is CN(C)c1ccc(NCc2cc(F)c(F)c(F)c2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine?
The InChIKey is CVGVTRDZHBTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-20(2)12-5-3-11(4-6-12)19-9-10-7-13(16)15(18)14(17)8-10/h3-8,19H,9H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine has a molecular weight of 280.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 63050848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).