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

C14H11Cl2F2NO — CID 104792036

IUPAC2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2c(Cl)cc(F)cc2Cl)c1F
InChIInChI=1S/C14H11Cl2F2NO/c1-20-12-4-2-3-8(13(12)18)7-19-14-10(15)5-9(17)6-11(14)16/h2-6,19H,7H2,1H3
InChIKeyKLBICANBQWBVGJ-UHFFFAOYSA-N
MW318.15 g/mol
LogP4.89
Rot. Bonds4

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

2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline (PubChem CID 104792036) has the molecular formula C14H11Cl2F2NO and a molecular weight of 318.15 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
PubChem CID104792036
Molecular FormulaC14H11Cl2F2NO
Molecular Weight318.15 g/mol
Exact Mass317.02
IUPAC Name2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2c(Cl)cc(F)cc2Cl)c1F
InChIInChI=1S/C14H11Cl2F2NO/c1-20-12-4-2-3-8(13(12)18)7-19-14-10(15)5-9(17)6-11(14)16/h2-6,19H,7H2,1H3
InChIKeyKLBICANBQWBVGJ-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791512
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791660
2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
CID 104792082
4-chloro-2-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791665
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline
CID 114487194
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
CID 112607220
4-(chloromethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104794881
3,4-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791484
2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487265
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
CID 104816030

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline (CID 104792036) is 2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline is COc1cccc(CNc2c(Cl)cc(F)cc2Cl)c1F.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline?
The InChIKey is KLBICANBQWBVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO/c1-20-12-4-2-3-8(13(12)18)7-19-14-10(15)5-9(17)6-11(14)16/h2-6,19H,7H2,1H3.
What are the key properties of 2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline?
2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline has a molecular weight of 318.15 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 104792036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).