4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline

C16H19FN2 — CID 116907090

IUPAC4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline
SMILESCNc1ccc(C(c2ccccc2F)N(C)C)cc1
InChIInChI=1S/C16H19FN2/c1-18-13-10-8-12(9-11-13)16(19(2)3)14-6-4-5-7-15(14)17/h4-11,16,18H,1-3H3
InChIKeyJRJKJOAAMDZOJO-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.52
Rot. Bonds4

About 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline

4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline (PubChem CID 116907090) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline
PubChem CID116907090
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline
SMILESCNc1ccc(C(c2ccccc2F)N(C)C)cc1
InChIInChI=1S/C16H19FN2/c1-18-13-10-8-12(9-11-13)16(19(2)3)14-6-4-5-7-15(14)17/h4-11,16,18H,1-3H3
InChIKeyJRJKJOAAMDZOJO-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline?
The IUPAC name of 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline (CID 116907090) is 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline is CNc1ccc(C(c2ccccc2F)N(C)C)cc1.
What is the InChIKey of 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline?
The InChIKey is JRJKJOAAMDZOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-18-13-10-8-12(9-11-13)16(19(2)3)14-6-4-5-7-15(14)17/h4-11,16,18H,1-3H3.
What are the key properties of 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline?
4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline has a molecular weight of 258.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 116907090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).