4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine

C14H15FN2 — CID 140659153

IUPAC4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=CC/C(=N\Cc2ccc(F)cc2)C=C1
InChIInChI=1S/C14H15FN2/c1-16-13-6-8-14(9-7-13)17-10-11-2-4-12(15)5-3-11/h2-8,16H,9-10H2,1H3/b17-14-
InChIKeyVVVUVHQLKBGLRX-VKAVYKQESA-N
MW230.29 g/mol
LogP2.83
Rot. Bonds3

About 4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine

4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 140659153) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID140659153
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=CC/C(=N\Cc2ccc(F)cc2)C=C1
InChIInChI=1S/C14H15FN2/c1-16-13-6-8-14(9-7-13)17-10-11-2-4-12(15)5-3-11/h2-8,16H,9-10H2,1H3/b17-14-
InChIKeyVVVUVHQLKBGLRX-VKAVYKQESA-N
XLogP2.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine (CID 140659153) is 4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine is CNC1=CC/C(=N\Cc2ccc(F)cc2)C=C1.
What is the InChIKey of 4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is VVVUVHQLKBGLRX-VKAVYKQESA-N. The full InChI is InChI=1S/C14H15FN2/c1-16-13-6-8-14(9-7-13)17-10-11-2-4-12(15)5-3-11/h2-8,16H,9-10H2,1H3/b17-14-.
What are the key properties of 4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine?
4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 230.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylimino]-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 140659153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).