N-benzyl-2,4-difluoro-N-methylaniline

C14H13F2N — CID 110454539

IUPACN-benzyl-2,4-difluoro-N-methylaniline
SMILESCN(Cc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C14H13F2N/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(15)9-13(14)16/h2-9H,10H2,1H3
InChIKeyQTWURUNQPNRBBQ-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.60
Rot. Bonds3

About N-benzyl-2,4-difluoro-N-methylaniline

N-benzyl-2,4-difluoro-N-methylaniline (PubChem CID 110454539) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is N-benzyl-2,4-difluoro-N-methylaniline.

Molecular Properties

Compound NameN-benzyl-2,4-difluoro-N-methylaniline
PubChem CID110454539
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC NameN-benzyl-2,4-difluoro-N-methylaniline
SMILESCN(Cc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C14H13F2N/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(15)9-13(14)16/h2-9H,10H2,1H3
InChIKeyQTWURUNQPNRBBQ-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-fluoro-N-methyl-4-methylsulfonylaniline
CID 3874666
N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736
N-benzyl-4-fluoro-N-methyl-2-nitroaniline
CID 146302250
N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313735
N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284102
3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine
CID 143309762
3-(N-benzyl-2,4-difluoroanilino)-2-methylpropanoic acid
CID 82317344
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834
1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 61412978
3-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-methylpropanamide
CID 113133420
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
1-N-benzyl-4-chloro-5-fluoro-1-N-methylbenzene-1,2-diamine
CID 66079317

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-difluoro-N-methylaniline?
The IUPAC name of N-benzyl-2,4-difluoro-N-methylaniline (CID 110454539) is N-benzyl-2,4-difluoro-N-methylaniline.
What is the SMILES notation for N-benzyl-2,4-difluoro-N-methylaniline?
The canonical SMILES for N-benzyl-2,4-difluoro-N-methylaniline is CN(Cc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N-benzyl-2,4-difluoro-N-methylaniline?
The InChIKey is QTWURUNQPNRBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(15)9-13(14)16/h2-9H,10H2,1H3.
What are the key properties of N-benzyl-2,4-difluoro-N-methylaniline?
N-benzyl-2,4-difluoro-N-methylaniline has a molecular weight of 233.26 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-difluoro-N-methylaniline is sourced from PubChem (CID 110454539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).