5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline

C16H19FN2 — CID 61412798

IUPAC5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
SMILESCc1ccc(CN(C)Cc2ccccc2F)cc1N
InChIInChI=1S/C16H19FN2/c1-12-7-8-13(9-16(12)18)10-19(2)11-14-5-3-4-6-15(14)17/h3-9H,10-11,18H2,1-2H3
InChIKeyHMMSJQSNOWHHBE-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.35
Rot. Bonds4

About 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline

5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline (PubChem CID 61412798) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline.

Molecular Properties

Compound Name5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
PubChem CID61412798
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
SMILESCc1ccc(CN(C)Cc2ccccc2F)cc1N
InChIInChI=1S/C16H19FN2/c1-12-7-8-13(9-16(12)18)10-19(2)11-14-5-3-4-6-15(14)17/h3-9H,10-11,18H2,1-2H3
InChIKeyHMMSJQSNOWHHBE-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.35
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
2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63188598
[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785236
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80656876
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43272233
2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 105345750
5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline
CID 61422466
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117039000
3-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-fluoroaniline
CID 107347290
4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide
CID 63583693
4-[(2-fluorophenyl)methyl]-2-methylaniline
CID 134448573
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383822

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline?
The IUPAC name of 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline (CID 61412798) is 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline.
What is the SMILES notation for 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline?
The canonical SMILES for 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline is Cc1ccc(CN(C)Cc2ccccc2F)cc1N.
What is the InChIKey of 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline?
The InChIKey is HMMSJQSNOWHHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12-7-8-13(9-16(12)18)10-19(2)11-14-5-3-4-6-15(14)17/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline?
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline has a molecular weight of 258.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline is sourced from PubChem (CID 61412798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).