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

C14H12ClF2N — CID 29039317

IUPAC3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NCc1c(F)cccc1F
InChIInChI=1S/C14H12ClF2N/c1-9-11(15)4-2-7-14(9)18-8-10-12(16)5-3-6-13(10)17/h2-7,18H,8H2,1H3
InChIKeyQEHNEYKFDUNDTB-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.54
Rot. Bonds3

About 3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline

3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline (PubChem CID 29039317) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
PubChem CID29039317
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NCc1c(F)cccc1F
InChIInChI=1S/C14H12ClF2N/c1-9-11(15)4-2-7-14(9)18-8-10-12(16)5-3-6-13(10)17/h2-7,18H,8H2,1H3
InChIKeyQEHNEYKFDUNDTB-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-chloro-6-fluorophenyl)methyl]-3-iodo-2-methylaniline
CID 114256870
2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline
CID 28967830
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
CID 63419437
2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline
CID 95483003
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
CID 69010950
N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-methylaniline
CID 81432615
2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 30051961
3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol
CID 43741707
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260
3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63453660
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol
CID 106953996

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline?
The IUPAC name of 3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline (CID 29039317) is 3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for 3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline?
The canonical SMILES for 3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline is Cc1c(Cl)cccc1NCc1c(F)cccc1F.
What is the InChIKey of 3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline?
The InChIKey is QEHNEYKFDUNDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-9-11(15)4-2-7-14(9)18-8-10-12(16)5-3-6-13(10)17/h2-7,18H,8H2,1H3.
What are the key properties of 3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline?
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-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 3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 29039317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).