N-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline

C21H19FN2 — CID 6536099

IUPACN-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline
SMILESCc1cccc(N/N=C(/c2ccccc2)c2ccc(F)cc2)c1C
InChIInChI=1S/C21H19FN2/c1-15-7-6-10-20(16(15)2)23-24-21(17-8-4-3-5-9-17)18-11-13-19(22)14-12-18/h3-14,23H,1-2H3/b24-21-
InChIKeyMLQHNGSCFVDTFK-FLFQWRMESA-N
MW318.40 g/mol
LogP5.31
Rot. Bonds4

About N-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline

N-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline (PubChem CID 6536099) has the molecular formula C21H19FN2 and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline
PubChem CID6536099
Molecular FormulaC21H19FN2
Molecular Weight318.40 g/mol
Exact Mass318.15
IUPAC NameN-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline
SMILESCc1cccc(N/N=C(/c2ccccc2)c2ccc(F)cc2)c1C
InChIInChI=1S/C21H19FN2/c1-15-7-6-10-20(16(15)2)23-24-21(17-8-4-3-5-9-17)18-11-13-19(22)14-12-18/h3-14,23H,1-2H3/b24-21-
InChIKeyMLQHNGSCFVDTFK-FLFQWRMESA-N
XLogP5.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.31
H-Bond Donors ≤ 51
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-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline?
The IUPAC name of N-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline (CID 6536099) is N-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline.
What is the SMILES notation for N-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline?
The canonical SMILES for N-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline is Cc1cccc(N/N=C(/c2ccccc2)c2ccc(F)cc2)c1C.
What is the InChIKey of N-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline?
The InChIKey is MLQHNGSCFVDTFK-FLFQWRMESA-N. The full InChI is InChI=1S/C21H19FN2/c1-15-7-6-10-20(16(15)2)23-24-21(17-8-4-3-5-9-17)18-11-13-19(22)14-12-18/h3-14,23H,1-2H3/b24-21-.
What are the key properties of N-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline?
N-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline has a molecular weight of 318.40 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline is sourced from PubChem (CID 6536099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).