N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine

C14H11F5N2O2 — CID 133489068

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine
SMILESFC(F)Oc1ccccc1CNc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C14H11F5N2O2/c15-13(16)22-11-4-2-1-3-9(11)7-20-12-6-5-10(8-21-12)23-14(17,18)19/h1-6,8,13H,7H2,(H,20,21)
InChIKeyNBMDKXHZRQFEIN-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.19
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 133489068) has the molecular formula C14H11F5N2O2 and a molecular weight of 334.24 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID133489068
Molecular FormulaC14H11F5N2O2
Molecular Weight334.24 g/mol
Exact Mass334.07
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine
SMILESFC(F)Oc1ccccc1CNc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C14H11F5N2O2/c15-13(16)22-11-4-2-1-3-9(11)7-20-12-6-5-10(8-21-12)23-14(17,18)19/h1-6,8,13H,7H2,(H,20,21)
InChIKeyNBMDKXHZRQFEIN-UHFFFAOYSA-N
XLogP4.19
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine
CID 133489708
N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489388
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 4995803
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
3-[[6-[[2-(difluoromethoxy)phenyl]methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 66971159
N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 114280854
5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 171705268
N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133492021
6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide
CID 133370007
N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 133488362
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 169238058
[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
CID 167715263

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine (CID 133489068) is N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine is FC(F)Oc1ccccc1CNc1ccc(OC(F)(F)F)cn1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is NBMDKXHZRQFEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N2O2/c15-13(16)22-11-4-2-1-3-9(11)7-20-12-6-5-10(8-21-12)23-14(17,18)19/h1-6,8,13H,7H2,(H,20,21).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 334.24 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 133489068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).