2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline

C13H10Cl2FN — CID 65469329

IUPAC2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
SMILESFc1ccccc1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C13H10Cl2FN/c14-10-5-3-6-11(15)13(10)17-8-9-4-1-2-7-12(9)16/h1-7,17H,8H2
InChIKeyQJWJAFTZMPFTRK-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.74
Rot. Bonds3

About 2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline

2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline (PubChem CID 65469329) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
PubChem CID65469329
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
SMILESFc1ccccc1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C13H10Cl2FN/c14-10-5-3-6-11(15)13(10)17-8-9-4-1-2-7-12(9)16/h1-7,17H,8H2
InChIKeyQJWJAFTZMPFTRK-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-dichloroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 108997690
N-[(2-aminophenyl)methyl]-2,6-dichloroaniline
CID 66418277
2,4,6-trichloro-N-[(2-chloro-3-fluorophenyl)methyl]aniline
CID 112651817
1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897575
N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 29034132
2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid
CID 115462106
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline
CID 102616009
5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine
CID 114285819
2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487265
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
CID 66707066

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline (CID 65469329) is 2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline is Fc1ccccc1CNc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline?
The InChIKey is QJWJAFTZMPFTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-10-5-3-6-11(15)13(10)17-8-9-4-1-2-7-12(9)16/h1-7,17H,8H2.
What are the key properties of 2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline?
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline has a molecular weight of 270.13 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline is sourced from PubChem (CID 65469329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).