2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline

C14H16N2O — CID 79267749

IUPAC2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
SMILESCc1cccc(COc2ccc(N)c(C)c2)n1
InChIInChI=1S/C14H16N2O/c1-10-8-13(6-7-14(10)15)17-9-12-5-3-4-11(2)16-12/h3-8H,9,15H2,1-2H3
InChIKeyPSXKHXJDCQGQAN-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.86
Rot. Bonds3

About 2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline

2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline (PubChem CID 79267749) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
PubChem CID79267749
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
SMILESCc1cccc(COc2ccc(N)c(C)c2)n1
InChIInChI=1S/C14H16N2O/c1-10-8-13(6-7-14(10)15)17-9-12-5-3-4-11(2)16-12/h3-8H,9,15H2,1-2H3
InChIKeyPSXKHXJDCQGQAN-UHFFFAOYSA-N
XLogP2.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]methyl]-6-methylpyridine
CID 83135260
N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 79268111
[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 83140991
[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267363
2-[(5-bromo-3-pyridinyl)oxymethyl]-6-methylpyridine
CID 79267890
2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
CID 107040834
4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline
CID 79518909
2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79799554
(1S)-1-[2-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 107720712
N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908616
ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
CID 79267932
2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63992724

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline?
The IUPAC name of 2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline (CID 79267749) is 2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for 2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline?
The canonical SMILES for 2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline is Cc1cccc(COc2ccc(N)c(C)c2)n1.
What is the InChIKey of 2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline?
The InChIKey is PSXKHXJDCQGQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-8-13(6-7-14(10)15)17-9-12-5-3-4-11(2)16-12/h3-8H,9,15H2,1-2H3.
What are the key properties of 2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline?
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline has a molecular weight of 228.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 79267749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).