4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline

C15H17FN2 — CID 4192464

IUPAC4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C15H17FN2/c1-18(2)15-9-3-12(4-10-15)11-17-14-7-5-13(16)6-8-14/h3-10,17H,11H2,1-2H3
InChIKeyFVVRSFMHMBKUOM-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.50
Rot. Bonds4

About 4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline

4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline (PubChem CID 4192464) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline
PubChem CID4192464
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C15H17FN2/c1-18(2)15-9-3-12(4-10-15)11-17-14-7-5-13(16)6-8-14/h3-10,17H,11H2,1-2H3
InChIKeyFVVRSFMHMBKUOM-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-fluoroanilino)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline (CID 4192464) is 4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline is CN(C)c1ccc(CNc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline?
The InChIKey is FVVRSFMHMBKUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-18(2)15-9-3-12(4-10-15)11-17-14-7-5-13(16)6-8-14/h3-10,17H,11H2,1-2H3.
What are the key properties of 4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline?
4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline has a molecular weight of 244.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoroanilino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 4192464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).