2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline

C14H10Cl2F3NO — CID 65467198

IUPAC2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)(F)Oc1ccccc1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2F3NO/c15-10-5-3-6-11(16)13(10)20-8-9-4-1-2-7-12(9)21-14(17,18)19/h1-7,20H,8H2
InChIKeySSLOABDFKRAWJL-UHFFFAOYSA-N
MW336.14 g/mol
LogP5.50
Rot. Bonds4

About 2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline

2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline (PubChem CID 65467198) has the molecular formula C14H10Cl2F3NO and a molecular weight of 336.14 g/mol. Its IUPAC name is 2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
PubChem CID65467198
Molecular FormulaC14H10Cl2F3NO
Molecular Weight336.14 g/mol
Exact Mass335.01
IUPAC Name2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)(F)Oc1ccccc1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2F3NO/c15-10-5-3-6-11(16)13(10)20-8-9-4-1-2-7-12(9)21-14(17,18)19/h1-7,20H,8H2
InChIKeySSLOABDFKRAWJL-UHFFFAOYSA-N
XLogP5.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.14
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 133370814
2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 65467216
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 26012483
1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
CID 28664405
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
CID 83006472
3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 63454704
N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine
CID 66352968
5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 171705268
N-[(2-aminophenyl)methyl]-2,6-dichloroaniline
CID 66418277

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline (CID 65467198) is 2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline is FC(F)(F)Oc1ccccc1CNc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline?
The InChIKey is SSLOABDFKRAWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO/c15-10-5-3-6-11(16)13(10)20-8-9-4-1-2-7-12(9)21-14(17,18)19/h1-7,20H,8H2.
What are the key properties of 2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline?
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline has a molecular weight of 336.14 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 65467198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).