2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline

C15H16F2N2 — CID 63188598

IUPAC2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
SMILESCN(Cc1ccc(N)c(F)c1)Cc1ccccc1F
InChIInChI=1S/C15H16F2N2/c1-19(10-12-4-2-3-5-13(12)16)9-11-6-7-15(18)14(17)8-11/h2-8H,9-10,18H2,1H3
InChIKeyXYCAJZIEVWQEPI-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.18
Rot. Bonds4

About 2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline

2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline (PubChem CID 63188598) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
PubChem CID63188598
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
SMILESCN(Cc1ccc(N)c(F)c1)Cc1ccccc1F
InChIInChI=1S/C15H16F2N2/c1-19(10-12-4-2-3-5-13(12)16)9-11-6-7-15(18)14(17)8-11/h2-8H,9-10,18H2,1H3
InChIKeyXYCAJZIEVWQEPI-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412584
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412798
2-fluoro-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 55159076
[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785236
2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 105345750
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluoroaniline
CID 63189170
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117039000
3-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-fluoroaniline
CID 107347290
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80656876
4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide
CID 63583693
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
CID 61414831
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 106788061

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline?
The IUPAC name of 2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline (CID 63188598) is 2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline.
What is the SMILES notation for 2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline?
The canonical SMILES for 2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline is CN(Cc1ccc(N)c(F)c1)Cc1ccccc1F.
What is the InChIKey of 2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline?
The InChIKey is XYCAJZIEVWQEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-19(10-12-4-2-3-5-13(12)16)9-11-6-7-15(18)14(17)8-11/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline?
2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline has a molecular weight of 262.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline is sourced from PubChem (CID 63188598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).