N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine

C19H19F3N2 — CID 134951093

IUPACN-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine
SMILESC=C(/C=N\N(Cc1ccccc1)Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C19H19F3N2/c1-16(12-19(20,21)22)13-23-24(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,13H,1,12,14-15H2/b23-13-
InChIKeyKBLVBOFVAVKELH-QRVIBDJDSA-N
MW332.37 g/mol
LogP5.18
Rot. Bonds7

About N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine

N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine (PubChem CID 134951093) has the molecular formula C19H19F3N2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine.

Molecular Properties

Compound NameN-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine
PubChem CID134951093
Molecular FormulaC19H19F3N2
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC NameN-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine
SMILESC=C(/C=N\N(Cc1ccccc1)Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C19H19F3N2/c1-16(12-19(20,21)22)13-23-24(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,13H,1,12,14-15H2/b23-13-
InChIKeyKBLVBOFVAVKELH-QRVIBDJDSA-N
XLogP5.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine?
The IUPAC name of N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine (CID 134951093) is N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine.
What is the SMILES notation for N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine?
The canonical SMILES for N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine is C=C(/C=N\N(Cc1ccccc1)Cc1ccccc1)CC(F)(F)F.
What is the InChIKey of N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine?
The InChIKey is KBLVBOFVAVKELH-QRVIBDJDSA-N. The full InChI is InChI=1S/C19H19F3N2/c1-16(12-19(20,21)22)13-23-24(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,13H,1,12,14-15H2/b23-13-.
What are the key properties of N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine?
N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine has a molecular weight of 332.37 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine is sourced from PubChem (CID 134951093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).