4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline

C13H18F2N2 — CID 107932908

IUPAC4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline
SMILESCN(CC1CCC1)c1ccc(CN)c(F)c1F
InChIInChI=1S/C13H18F2N2/c1-17(8-9-3-2-4-9)11-6-5-10(7-16)12(14)13(11)15/h5-6,9H,2-4,7-8,16H2,1H3
InChIKeyLCDRRGAXHHXWJR-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.66
Rot. Bonds4

About 4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline

4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline (PubChem CID 107932908) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline
PubChem CID107932908
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline
SMILESCN(CC1CCC1)c1ccc(CN)c(F)c1F
InChIInChI=1S/C13H18F2N2/c1-17(8-9-3-2-4-9)11-6-5-10(7-16)12(14)13(11)15/h5-6,9H,2-4,7-8,16H2,1H3
InChIKeyLCDRRGAXHHXWJR-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 107532385
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 107532389
N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline
CID 66962258
2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline
CID 62307441
4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline
CID 114017570
4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile
CID 107933424
4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline
CID 107933009
N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine
CID 107932671
2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol
CID 107932834
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63783457
4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 107932729
4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline
CID 107932790

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline (CID 107932908) is 4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline is CN(CC1CCC1)c1ccc(CN)c(F)c1F.
What is the InChIKey of 4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline?
The InChIKey is LCDRRGAXHHXWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17(8-9-3-2-4-9)11-6-5-10(7-16)12(14)13(11)15/h5-6,9H,2-4,7-8,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline?
4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline has a molecular weight of 240.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline is sourced from PubChem (CID 107932908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).