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

C14H11ClF3NO — CID 104816030

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
SMILESCOc1cccc(Cl)c1CNc1c(F)cc(F)cc1F
InChIInChI=1S/C14H11ClF3NO/c1-20-13-4-2-3-10(15)9(13)7-19-14-11(17)5-8(16)6-12(14)18/h2-6,19H,7H2,1H3
InChIKeyATSBVTVTFFCCAI-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.38
Rot. Bonds4

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

N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline (PubChem CID 104816030) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
PubChem CID104816030
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
SMILESCOc1cccc(Cl)c1CNc1c(F)cc(F)cc1F
InChIInChI=1S/C14H11ClF3NO/c1-20-13-4-2-3-10(15)9(13)7-19-14-11(17)5-8(16)6-12(14)18/h2-6,19H,7H2,1H3
InChIKeyATSBVTVTFFCCAI-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609933
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 104815682
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol
CID 104816016
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
CID 104815657
1-N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103291747
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine
CID 103293215
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile
CID 103292573
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-iodoaniline
CID 107632429
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-nitroaniline
CID 104815786

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline (CID 104816030) is N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline is COc1cccc(Cl)c1CNc1c(F)cc(F)cc1F.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline?
The InChIKey is ATSBVTVTFFCCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c1-20-13-4-2-3-10(15)9(13)7-19-14-11(17)5-8(16)6-12(14)18/h2-6,19H,7H2,1H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline?
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline has a molecular weight of 301.70 g/mol, XLogP of 4.38, 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]-2,4,6-trifluoroaniline is sourced from PubChem (CID 104816030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).