2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline

C13H11F3N2O — CID 114936281

IUPAC2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C13H11F3N2O/c1-19-11-5-2-8(7-18-11)6-17-10-4-3-9(14)12(15)13(10)16/h2-5,7,17H,6H2,1H3
InChIKeyRDPMNIGIIFRGOF-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.12
Rot. Bonds4

About 2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline

2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline (PubChem CID 114936281) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
PubChem CID114936281
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C13H11F3N2O/c1-19-11-5-2-8(7-18-11)6-17-10-4-3-9(14)12(15)13(10)16/h2-5,7,17H,6H2,1H3
InChIKeyRDPMNIGIIFRGOF-UHFFFAOYSA-N
XLogP3.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 107933778
N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline
CID 163207536
2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936544
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936385
3-[(6-methoxy-3-pyridinyl)methylamino]-2,6-dimethylphenol
CID 114936585
2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43090343
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 105011735
1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 62990420
1-(3-chloro-4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 81144859
4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114936877
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 106263440

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The IUPAC name of 2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline (CID 114936281) is 2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The canonical SMILES for 2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline is COc1ccc(CNc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of 2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The InChIKey is RDPMNIGIIFRGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-19-11-5-2-8(7-18-11)6-17-10-4-3-9(14)12(15)13(10)16/h2-5,7,17H,6H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline has a molecular weight of 268.24 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 114936281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).