2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline

C17H19FN2 — CID 139982409

IUPAC2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline
SMILESCC(C)C(/N=C/c1ccc(F)cc1)c1ccccc1N
InChIInChI=1S/C17H19FN2/c1-12(2)17(15-5-3-4-6-16(15)19)20-11-13-7-9-14(18)10-8-13/h3-12,17H,19H2,1-2H3/b20-11+
InChIKeyVDJGILCYZZAKHL-RGVLZGJSSA-N
MW270.35 g/mol
LogP4.22
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline

2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline (PubChem CID 139982409) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline
PubChem CID139982409
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline
SMILESCC(C)C(/N=C/c1ccc(F)cc1)c1ccccc1N
InChIInChI=1S/C17H19FN2/c1-12(2)17(15-5-3-4-6-16(15)19)20-11-13-7-9-14(18)10-8-13/h3-12,17H,19H2,1-2H3/b20-11+
InChIKeyVDJGILCYZZAKHL-RGVLZGJSSA-N
XLogP4.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline?
The IUPAC name of 2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline (CID 139982409) is 2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline is CC(C)C(/N=C/c1ccc(F)cc1)c1ccccc1N.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline?
The InChIKey is VDJGILCYZZAKHL-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H19FN2/c1-12(2)17(15-5-3-4-6-16(15)19)20-11-13-7-9-14(18)10-8-13/h3-12,17H,19H2,1-2H3/b20-11+.
What are the key properties of 2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline?
2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline has a molecular weight of 270.35 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methylideneamino]-2-methylpropyl]aniline is sourced from PubChem (CID 139982409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).