4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline

C17H21FN2 — CID 134794665

IUPAC4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline
SMILESCN(Cc1ccc(F)cc1)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C17H21FN2/c1-19(2)17-10-6-15(7-11-17)13-20(3)12-14-4-8-16(18)9-5-14/h4-11H,12-13H2,1-3H3
InChIKeyQSFHACIYCLTDHF-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.52
Rot. Bonds5

About 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline

4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline (PubChem CID 134794665) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline
PubChem CID134794665
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline
SMILESCN(Cc1ccc(F)cc1)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C17H21FN2/c1-19(2)17-10-6-15(7-11-17)13-20(3)12-14-4-8-16(18)9-5-14/h4-11H,12-13H2,1-3H3
InChIKeyQSFHACIYCLTDHF-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline (CID 134794665) is 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline is CN(Cc1ccc(F)cc1)Cc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline?
The InChIKey is QSFHACIYCLTDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-19(2)17-10-6-15(7-11-17)13-20(3)12-14-4-8-16(18)9-5-14/h4-11H,12-13H2,1-3H3.
What are the key properties of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline?
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 134794665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).