N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline

C14H12ClF2NO — CID 104815678

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
SMILESCOc1cccc(Cl)c1CNc1ccc(F)cc1F
InChIInChI=1S/C14H12ClF2NO/c1-19-14-4-2-3-11(15)10(14)8-18-13-6-5-9(16)7-12(13)17/h2-7,18H,8H2,1H3
InChIKeyQAOOUOYWEWUEOY-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.24
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline

N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline (PubChem CID 104815678) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
PubChem CID104815678
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
SMILESCOc1cccc(Cl)c1CNc1ccc(F)cc1F
InChIInChI=1S/C14H12ClF2NO/c1-19-14-4-2-3-11(15)10(14)8-18-13-6-5-9(16)7-12(13)17/h2-7,18H,8H2,1H3
InChIKeyQAOOUOYWEWUEOY-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
CID 104815657
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 104815682
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609933
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
CID 104816030
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-nitroaniline
CID 104815786
1-N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103291747
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-iodoaniline
CID 107632429
N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 29043434
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol
CID 104816016
3-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 103291779
2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine
CID 103291752

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline (CID 104815678) is N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline is COc1cccc(Cl)c1CNc1ccc(F)cc1F.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline?
The InChIKey is QAOOUOYWEWUEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-19-14-4-2-3-11(15)10(14)8-18-13-6-5-9(16)7-12(13)17/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline?
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline has a molecular weight of 283.71 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline is sourced from PubChem (CID 104815678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).