2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline

C16H18F2N2 — CID 107454661

IUPAC2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
SMILESCNCc1ccc(F)c(CN(C)c2ccccc2F)c1
InChIInChI=1S/C16H18F2N2/c1-19-10-12-7-8-14(17)13(9-12)11-20(2)16-6-4-3-5-15(16)18/h3-9,19H,10-11H2,1-2H3
InChIKeyVKFXJALFGVVQGQ-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.32
Rot. Bonds5

About 2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline

2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline (PubChem CID 107454661) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
PubChem CID107454661
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
SMILESCNCc1ccc(F)c(CN(C)c2ccccc2F)c1
InChIInChI=1S/C16H18F2N2/c1-19-10-12-7-8-14(17)13(9-12)11-20(2)16-6-4-3-5-15(16)18/h3-9,19H,10-11H2,1-2H3
InChIKeyVKFXJALFGVVQGQ-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107556414
1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
CID 107454369
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpentan-1-amine
CID 107454220
2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62434557
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 107454523
2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline
CID 61422400
3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
CID 64768467
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 107454826
1-[4-fluoro-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 107455085
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpent-4-en-1-amine
CID 107455677
N-[(4-bromothiophen-2-yl)methyl]-2-fluoro-N-methyl-4-(methylaminomethyl)aniline
CID 54984847
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 107454398

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline?
The IUPAC name of 2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline (CID 107454661) is 2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline.
What is the SMILES notation for 2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline?
The canonical SMILES for 2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline is CNCc1ccc(F)c(CN(C)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline?
The InChIKey is VKFXJALFGVVQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-19-10-12-7-8-14(17)13(9-12)11-20(2)16-6-4-3-5-15(16)18/h3-9,19H,10-11H2,1-2H3.
What are the key properties of 2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline?
2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline has a molecular weight of 276.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline is sourced from PubChem (CID 107454661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).