1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine

C18H20FN — CID 162411394

IUPAC1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine
SMILESCC(C)(C)/C(Cc1ccccc1F)=N\c1ccccc1
InChIInChI=1S/C18H20FN/c1-18(2,3)17(20-15-10-5-4-6-11-15)13-14-9-7-8-12-16(14)19/h4-12H,13H2,1-3H3/b20-17-
InChIKeyQCIPTUNQIIFVJI-JZJYNLBNSA-N
MW269.36 g/mol
LogP5.19
Rot. Bonds3

About 1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine

1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine (PubChem CID 162411394) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine
PubChem CID162411394
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine
SMILESCC(C)(C)/C(Cc1ccccc1F)=N\c1ccccc1
InChIInChI=1S/C18H20FN/c1-18(2,3)17(20-15-10-5-4-6-11-15)13-14-9-7-8-12-16(14)19/h4-12H,13H2,1-3H3/b20-17-
InChIKeyQCIPTUNQIIFVJI-JZJYNLBNSA-N
XLogP5.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.36
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine?
The IUPAC name of 1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine (CID 162411394) is 1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine.
What is the SMILES notation for 1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine?
The canonical SMILES for 1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine is CC(C)(C)/C(Cc1ccccc1F)=N\c1ccccc1.
What is the InChIKey of 1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine?
The InChIKey is QCIPTUNQIIFVJI-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H20FN/c1-18(2,3)17(20-15-10-5-4-6-11-15)13-14-9-7-8-12-16(14)19/h4-12H,13H2,1-3H3/b20-17-.
What are the key properties of 1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine?
1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine has a molecular weight of 269.36 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3,3-dimethyl-N-phenylbutan-2-imine is sourced from PubChem (CID 162411394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).