3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline

C16H19FN2 — CID 115212239

IUPAC3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline
SMILESCNc1cccc(CN(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H19FN2/c1-18-16-5-3-4-14(10-16)12-19(2)11-13-6-8-15(17)9-7-13/h3-10,18H,11-12H2,1-2H3
InChIKeyBTJZZQIEVWBLJN-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.50
Rot. Bonds5

About 3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline

3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline (PubChem CID 115212239) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline
PubChem CID115212239
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline
SMILESCNc1cccc(CN(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H19FN2/c1-18-16-5-3-4-14(10-16)12-19(2)11-13-6-8-15(17)9-7-13/h3-10,18H,11-12H2,1-2H3
InChIKeyBTJZZQIEVWBLJN-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212240
3-[[2-(4-bromophenyl)ethyl-methylamino]methyl]-N-methylaniline
CID 115212306
3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041162
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690
3-(bromomethyl)-N-methylaniline
CID 147410245
N-methyl-N-[[3-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine
CID 115212150
3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212134
N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 177179048
N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline
CID 115212159
3-fluoro-N-methylaniline
CID 2759011
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline
CID 54480376

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline?
The IUPAC name of 3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline (CID 115212239) is 3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline.
What is the SMILES notation for 3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline?
The canonical SMILES for 3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline is CNc1cccc(CN(C)Cc2ccc(F)cc2)c1.
What is the InChIKey of 3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline?
The InChIKey is BTJZZQIEVWBLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-18-16-5-3-4-14(10-16)12-19(2)11-13-6-8-15(17)9-7-13/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline?
3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline has a molecular weight of 258.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline is sourced from PubChem (CID 115212239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).