N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine

C14H14F3N3O2 — CID 133489388

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
SMILESCCOc1ncccc1CNc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C14H14F3N3O2/c1-2-21-13-10(4-3-7-18-13)8-19-12-6-5-11(9-20-12)22-14(15,16)17/h3-7,9H,2,8H2,1H3,(H,19,20)
InChIKeyJLDNNXOJNPOAEW-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.39
Rot. Bonds6

About N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine

N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 133489388) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID133489388
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
SMILESCCOc1ncccc1CNc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C14H14F3N3O2/c1-2-21-13-10(4-3-7-18-13)8-19-12-6-5-11(9-20-12)22-14(15,16)17/h3-7,9H,2,8H2,1H3,(H,19,20)
InChIKeyJLDNNXOJNPOAEW-UHFFFAOYSA-N
XLogP3.39
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine
CID 133489708
N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489068
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 114280854
5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 58259421
3-ethyl-2-(trifluoromethoxy)pyridine
CID 166104126
1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111847917
(1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 97308672
N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133492021
6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 46576633
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 151374576

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine (CID 133489388) is N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine is CCOc1ncccc1CNc1ccc(OC(F)(F)F)cn1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is JLDNNXOJNPOAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-2-21-13-10(4-3-7-18-13)8-19-12-6-5-11(9-20-12)22-14(15,16)17/h3-7,9H,2,8H2,1H3,(H,19,20).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine?
N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 313.28 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 133489388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).