2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline

C14H12ClF2N — CID 28967830

IUPAC2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C14H12ClF2N/c1-9-5-6-14(11(15)7-9)18-8-10-12(16)3-2-4-13(10)17/h2-7,18H,8H2,1H3
InChIKeyLGLUIDKDLYVTOV-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.54
Rot. Bonds3

About 2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline

2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline (PubChem CID 28967830) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline
PubChem CID28967830
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C14H12ClF2N/c1-9-5-6-14(11(15)7-9)18-8-10-12(16)3-2-4-13(10)17/h2-7,18H,8H2,1H3
InChIKeyLGLUIDKDLYVTOV-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
2-chloro-4-methyl-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43772671
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 60899627
2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 30051961
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 107634827
2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60901932
N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine
CID 82504176
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053756
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline?
The IUPAC name of 2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline (CID 28967830) is 2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline?
The canonical SMILES for 2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline is Cc1ccc(NCc2c(F)cccc2F)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline?
The InChIKey is LGLUIDKDLYVTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-9-5-6-14(11(15)7-9)18-8-10-12(16)3-2-4-13(10)17/h2-7,18H,8H2,1H3.
What are the key properties of 2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline?
2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline has a molecular weight of 267.71 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline is sourced from PubChem (CID 28967830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).