1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine

C19H17F2N3O — CID 42195086

IUPAC1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1ccc(Oc2ncccc2CNCc2ccccn2)c(F)c1F
InChIInChI=1S/C19H17F2N3O/c1-13-7-8-16(18(21)17(13)20)25-19-14(5-4-10-24-19)11-22-12-15-6-2-3-9-23-15/h2-10,22H,11-12H2,1H3
InChIKeyOQRWBMABOPUAGR-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.15
Rot. Bonds6

About 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine

1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 42195086) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID42195086
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1ccc(Oc2ncccc2CNCc2ccccn2)c(F)c1F
InChIInChI=1S/C19H17F2N3O/c1-13-7-8-16(18(21)17(13)20)25-19-14(5-4-10-24-19)11-22-12-15-6-2-3-9-23-15/h2-10,22H,11-12H2,1H3
InChIKeyOQRWBMABOPUAGR-UHFFFAOYSA-N
XLogP4.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine
CID 42197705
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine
CID 25299461
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 42595092
2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide
CID 45223637
4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 56742548
1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 39358305
2-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296801
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine
CID 42198890
N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296784
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid
CID 17052907

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine (CID 42195086) is 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine is Cc1ccc(Oc2ncccc2CNCc2ccccn2)c(F)c1F.
What is the InChIKey of 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is OQRWBMABOPUAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-13-7-8-16(18(21)17(13)20)25-19-14(5-4-10-24-19)11-22-12-15-6-2-3-9-23-15/h2-10,22H,11-12H2,1H3.
What are the key properties of 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine?
1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 341.36 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 42195086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).