4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline

C15H17FN2 — CID 115212690

IUPAC4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
SMILESCNc1ccc(CN(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H17FN2/c1-17-14-7-3-12(4-8-14)11-18(2)15-9-5-13(16)6-10-15/h3-10,17H,11H2,1-2H3
InChIKeyRNJVSROAYOJYGX-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.50
Rot. Bonds4

About 4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline

4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline (PubChem CID 115212690) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
PubChem CID115212690
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
SMILESCNc1ccc(CN(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H17FN2/c1-17-14-7-3-12(4-8-14)11-18(2)15-9-5-13(16)6-10-15/h3-10,17H,11H2,1-2H3
InChIKeyRNJVSROAYOJYGX-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

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Related Compounds

4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline
CID 115212693
4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
CID 62436761
N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
CID 61413510
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039
5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533243
N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine
CID 115212707
3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212239
4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine
CID 101413906
2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657940
5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine
CID 103055908
ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 163403663

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline?
The IUPAC name of 4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline (CID 115212690) is 4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline.
What is the SMILES notation for 4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline?
The canonical SMILES for 4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline is CNc1ccc(CN(C)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline?
The InChIKey is RNJVSROAYOJYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-17-14-7-3-12(4-8-14)11-18(2)15-9-5-13(16)6-10-15/h3-10,17H,11H2,1-2H3.
What are the key properties of 4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline?
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline 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-fluoro-N-methylanilino)methyl]-N-methylaniline is sourced from PubChem (CID 115212690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).