N-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine

C14H13FN2 — CID 66619847

IUPACN-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine
SMILESFc1ccc(C=NNCc2ccccc2)cc1
InChIInChI=1S/C14H13FN2/c15-14-8-6-13(7-9-14)11-17-16-10-12-4-2-1-3-5-12/h1-9,11,16H,10H2
InChIKeyDSQWCDPMNIQXDW-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.95
Rot. Bonds4

About N-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine

N-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine (PubChem CID 66619847) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine
PubChem CID66619847
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine
SMILESFc1ccc(C=NNCc2ccccc2)cc1
InChIInChI=1S/C14H13FN2/c15-14-8-6-13(7-9-14)11-17-16-10-12-4-2-1-3-5-12/h1-9,11,16H,10H2
InChIKeyDSQWCDPMNIQXDW-UHFFFAOYSA-N
XLogP2.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.95
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-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine (CID 66619847) is N-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine is Fc1ccc(C=NNCc2ccccc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine?
The InChIKey is DSQWCDPMNIQXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2/c15-14-8-6-13(7-9-14)11-17-16-10-12-4-2-1-3-5-12/h1-9,11,16H,10H2.
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine?
N-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine has a molecular weight of 228.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 66619847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).