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

C14H11Cl2F2N — CID 83076631

IUPAC2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2c(Cl)cc(F)cc2Cl)cc1F
InChIInChI=1S/C14H11Cl2F2N/c1-8-2-3-9(4-13(8)18)7-19-14-11(15)5-10(17)6-12(14)16/h2-6,19H,7H2,1H3
InChIKeyIXAQQIMHFHOUEV-UHFFFAOYSA-N
MW302.15 g/mol
LogP5.19
Rot. Bonds3

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

2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline (PubChem CID 83076631) has the molecular formula C14H11Cl2F2N and a molecular weight of 302.15 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
PubChem CID83076631
Molecular FormulaC14H11Cl2F2N
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2c(Cl)cc(F)cc2Cl)cc1F
InChIInChI=1S/C14H11Cl2F2N/c1-8-2-3-9(4-13(8)18)7-19-14-11(15)5-10(17)6-12(14)16/h2-6,19H,7H2,1H3
InChIKeyIXAQQIMHFHOUEV-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.15
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 65468543
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818227
4-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylaniline
CID 55193295
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-nitrophenyl)methyl]aniline
CID 83078219
2,4,6-trichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43773692
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
2,3,5-trifluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645876
2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 83077206
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

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline (CID 83076631) is 2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline is Cc1ccc(CNc2c(Cl)cc(F)cc2Cl)cc1F.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The InChIKey is IXAQQIMHFHOUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N/c1-8-2-3-9(4-13(8)18)7-19-14-11(15)5-10(17)6-12(14)16/h2-6,19H,7H2,1H3.
What are the key properties of 2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline has a molecular weight of 302.15 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline is sourced from PubChem (CID 83076631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).