N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline

C14H12Cl2FN — CID 29043434

IUPACN-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
SMILESCc1cc(F)ccc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2FN/c1-9-7-10(17)5-6-14(9)18-8-11-12(15)3-2-4-13(11)16/h2-7,18H,8H2,1H3
InChIKeyBWVICCMPLZHESD-UHFFFAOYSA-N
MW284.16 g/mol
LogP5.05
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline

N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline (PubChem CID 29043434) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
PubChem CID29043434
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
SMILESCc1cc(F)ccc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2FN/c1-9-7-10(17)5-6-14(9)18-8-11-12(15)3-2-4-13(11)16/h2-7,18H,8H2,1H3
InChIKeyBWVICCMPLZHESD-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.16
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 104815682
1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43676987
3-chloro-2-[(2-chloro-4-fluoroanilino)methyl]phenol
CID 114317924
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
N-[(3-bromo-4-chlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 83235362
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol
CID 106953996
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
N-[[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-fluoro-2-methylaniline
CID 15990129
methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate
CID 43735543
3-chloro-4-[(4-fluoro-2-methylanilino)methyl]benzonitrile
CID 102663936
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
CID 66413254

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline (CID 29043434) is N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline is Cc1cc(F)ccc1NCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline?
The InChIKey is BWVICCMPLZHESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-9-7-10(17)5-6-14(9)18-8-11-12(15)3-2-4-13(11)16/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline?
N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline has a molecular weight of 284.16 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline is sourced from PubChem (CID 29043434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).