N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine

C19H16F3N3O — CID 42595092

IUPACN-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
SMILESFC(F)(F)c1cccc(Oc2ncccc2CNCc2ccccn2)c1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)15-6-3-8-17(11-15)26-18-14(5-4-10-25-18)12-23-13-16-7-1-2-9-24-16/h1-11,23H,12-13H2
InChIKeyDEQYRIMRVLQQEX-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.58
Rot. Bonds6

About N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine

N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine (PubChem CID 42595092) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
PubChem CID42595092
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
SMILESFC(F)(F)c1cccc(Oc2ncccc2CNCc2ccccn2)c1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)15-6-3-8-17(11-15)26-18-14(5-4-10-25-18)12-23-13-16-7-1-2-9-24-16/h1-11,23H,12-13H2
InChIKeyDEQYRIMRVLQQEX-UHFFFAOYSA-N
XLogP4.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 42528467
N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide
CID 42595685
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710
3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56738760
2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56741357
1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine
CID 42195086
1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 56748506
[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine
CID 43351770
1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 111121601

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine?
The IUPAC name of N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine (CID 42595092) is N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine is FC(F)(F)c1cccc(Oc2ncccc2CNCc2ccccn2)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine?
The InChIKey is DEQYRIMRVLQQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-19(21,22)15-6-3-8-17(11-15)26-18-14(5-4-10-25-18)12-23-13-16-7-1-2-9-24-16/h1-11,23H,12-13H2.
What are the key properties of N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine?
N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine has a molecular weight of 359.35 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 42595092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).