2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline

C14H12Cl2FN — CID 65468543

IUPAC2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C14H12Cl2FN/c1-9-5-6-10(7-13(9)17)8-18-14-11(15)3-2-4-12(14)16/h2-7,18H,8H2,1H3
InChIKeyUOPFBYQKNSVSKT-UHFFFAOYSA-N
MW284.16 g/mol
LogP5.05
Rot. Bonds3

About 2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline

2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline (PubChem CID 65468543) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
PubChem CID65468543
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C14H12Cl2FN/c1-9-5-6-10(7-13(9)17)8-18-14-11(15)3-2-4-12(14)16/h2-7,18H,8H2,1H3
InChIKeyUOPFBYQKNSVSKT-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

2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 83076631
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]aniline
CID 65469695
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
CID 63646546
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818227
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 55244423
2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline
CID 63422127
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
4-bromo-N-[(3-chloro-4-methylphenyl)methyl]-2,6-difluoroaniline
CID 106816892

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline (CID 65468543) is 2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline is Cc1ccc(CNc2c(Cl)cccc2Cl)cc1F.
What is the InChIKey of 2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The InChIKey is UOPFBYQKNSVSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-9-5-6-10(7-13(9)17)8-18-14-11(15)3-2-4-12(14)16/h2-7,18H,8H2,1H3.
What are the key properties of 2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline 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 2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline is sourced from PubChem (CID 65468543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).