2-methyl-4-(pyridin-3-yloxymethyl)aniline

C13H14N2O — CID 117220552

IUPAC2-methyl-4-(pyridin-3-yloxymethyl)aniline
SMILESCc1cc(COc2cccnc2)ccc1N
InChIInChI=1S/C13H14N2O/c1-10-7-11(4-5-13(10)14)9-16-12-3-2-6-15-8-12/h2-8H,9,14H2,1H3
InChIKeyKHOIMNAEPBDDSM-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.55
Rot. Bonds3

About 2-methyl-4-(pyridin-3-yloxymethyl)aniline

2-methyl-4-(pyridin-3-yloxymethyl)aniline (PubChem CID 117220552) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-methyl-4-(pyridin-3-yloxymethyl)aniline.

Molecular Properties

Compound Name2-methyl-4-(pyridin-3-yloxymethyl)aniline
PubChem CID117220552
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-methyl-4-(pyridin-3-yloxymethyl)aniline
SMILESCc1cc(COc2cccnc2)ccc1N
InChIInChI=1S/C13H14N2O/c1-10-7-11(4-5-13(10)14)9-16-12-3-2-6-15-8-12/h2-8H,9,14H2,1H3
InChIKeyKHOIMNAEPBDDSM-UHFFFAOYSA-N
XLogP2.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.55
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-chloro-5-(pyridin-3-yloxymethyl)aniline
CID 117221990
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
CID 156593409
3-[(2,4,6-trimethylphenyl)methoxy]pyridine
CID 112558779
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338
3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
CID 63690803
3-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
CID 112558818
2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile
CID 106794520
4-[(4-iodophenyl)methoxy]-2-methylaniline
CID 65498774
[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
CID 62449563
3-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
CID 112558634

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(pyridin-3-yloxymethyl)aniline?
The IUPAC name of 2-methyl-4-(pyridin-3-yloxymethyl)aniline (CID 117220552) is 2-methyl-4-(pyridin-3-yloxymethyl)aniline.
What is the SMILES notation for 2-methyl-4-(pyridin-3-yloxymethyl)aniline?
The canonical SMILES for 2-methyl-4-(pyridin-3-yloxymethyl)aniline is Cc1cc(COc2cccnc2)ccc1N.
What is the InChIKey of 2-methyl-4-(pyridin-3-yloxymethyl)aniline?
The InChIKey is KHOIMNAEPBDDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-7-11(4-5-13(10)14)9-16-12-3-2-6-15-8-12/h2-8H,9,14H2,1H3.
What are the key properties of 2-methyl-4-(pyridin-3-yloxymethyl)aniline?
2-methyl-4-(pyridin-3-yloxymethyl)aniline has a molecular weight of 214.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(pyridin-3-yloxymethyl)aniline is sourced from PubChem (CID 117220552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).