4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline

C16H18F2N2 — CID 107932729

IUPAC4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CN(C)c1ccc(CN)c(F)c1F
InChIInChI=1S/C16H18F2N2/c1-11-5-3-4-6-13(11)10-20(2)14-8-7-12(9-19)15(17)16(14)18/h3-8H,9-10,19H2,1-2H3
InChIKeyWTLRNBRRWRKZQJ-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.37
Rot. Bonds4

About 4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline

4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline (PubChem CID 107932729) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
PubChem CID107932729
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CN(C)c1ccc(CN)c(F)c1F
InChIInChI=1S/C16H18F2N2/c1-11-5-3-4-6-13(11)10-20(2)14-8-7-12(9-19)15(17)16(14)18/h3-8H,9-10,19H2,1-2H3
InChIKeyWTLRNBRRWRKZQJ-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114889484
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-2,3-difluoro-N-methylaniline
CID 107932774
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
CID 107113327
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-2,3-difluoro-N-methylaniline
CID 107932817
3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 102813489
4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline
CID 61411466
(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol
CID 63371123
4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline
CID 107932908
[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107118915
4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
CID 80507438
3-[(N,2-dimethylanilino)methyl]-2-fluorobenzonitrile
CID 107114943
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline (CID 107932729) is 4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline is Cc1ccccc1CN(C)c1ccc(CN)c(F)c1F.
What is the InChIKey of 4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is WTLRNBRRWRKZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-11-5-3-4-6-13(11)10-20(2)14-8-7-12(9-19)15(17)16(14)18/h3-8H,9-10,19H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline?
4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 276.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 107932729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).