N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline

C14H12Cl2FN — CID 28879400

IUPACN-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H12Cl2FN/c1-9-5-6-13(17)14(7-9)18-8-10-11(15)3-2-4-12(10)16/h2-7,18H,8H2,1H3
InChIKeyMCXPWURFFVKENB-UHFFFAOYSA-N
MW284.16 g/mol
LogP5.05
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline

N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline (PubChem CID 28879400) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
PubChem CID28879400
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H12Cl2FN/c1-9-5-6-13(17)14(7-9)18-8-10-11(15)3-2-4-12(10)16/h2-7,18H,8H2,1H3
InChIKeyMCXPWURFFVKENB-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

2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline
CID 28967830
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline
CID 56618086
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
CID 28879450
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053756
3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol
CID 114318245
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 29043434
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 66160456

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline (CID 28879400) is N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline is Cc1ccc(F)c(NCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline?
The InChIKey is MCXPWURFFVKENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-9-5-6-13(17)14(7-9)18-8-10-11(15)3-2-4-12(10)16/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline?
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-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]-2-fluoro-5-methylaniline is sourced from PubChem (CID 28879400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).