N-benzyl-3,4-difluoroaniline

C13H11F2N — CID 21321396

IUPACN-benzyl-3,4-difluoroaniline
SMILESFc1ccc(NCc2ccccc2)cc1F
InChIInChI=1S/C13H11F2N/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyZBWNJUTVRIREEA-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.58
Rot. Bonds3

About N-benzyl-3,4-difluoroaniline

N-benzyl-3,4-difluoroaniline (PubChem CID 21321396) has the molecular formula C13H11F2N and a molecular weight of 219.23 g/mol. Its IUPAC name is N-benzyl-3,4-difluoroaniline.

Molecular Properties

Compound NameN-benzyl-3,4-difluoroaniline
PubChem CID21321396
Molecular FormulaC13H11F2N
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC NameN-benzyl-3,4-difluoroaniline
SMILESFc1ccc(NCc2ccccc2)cc1F
InChIInChI=1S/C13H11F2N/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyZBWNJUTVRIREEA-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline
CID 115523440
3,4-difluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 29267990
6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112858876
N-benzyl-4-chloroaniline chloride
CID 45109713
3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66410010
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
N-benzyl-3-fluoro-4-piperidin-1-ylaniline
CID 70256130
4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679328
3,4-difluoro-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538570
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-fluoroaniline
CID 115650344
N-benzyl-3-chloro-4-methylaniline
CID 18778604
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-difluoroaniline?
The IUPAC name of N-benzyl-3,4-difluoroaniline (CID 21321396) is N-benzyl-3,4-difluoroaniline.
What is the SMILES notation for N-benzyl-3,4-difluoroaniline?
The canonical SMILES for N-benzyl-3,4-difluoroaniline is Fc1ccc(NCc2ccccc2)cc1F.
What is the InChIKey of N-benzyl-3,4-difluoroaniline?
The InChIKey is ZBWNJUTVRIREEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2.
What are the key properties of N-benzyl-3,4-difluoroaniline?
N-benzyl-3,4-difluoroaniline has a molecular weight of 219.23 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-difluoroaniline is sourced from PubChem (CID 21321396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).