2-(pyridin-4-ylmethoxy)aniline

C12H12N2O — CID 16788077

IUPAC2-(pyridin-4-ylmethoxy)aniline
SMILESNc1ccccc1OCc1ccncc1
InChIInChI=1S/C12H12N2O/c13-11-3-1-2-4-12(11)15-9-10-5-7-14-8-6-10/h1-8H,9,13H2
InChIKeyYPVNRDAFIAQKDQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.24
Rot. Bonds3

About 2-(pyridin-4-ylmethoxy)aniline

2-(pyridin-4-ylmethoxy)aniline (PubChem CID 16788077) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethoxy)aniline.

Molecular Properties

Compound Name2-(pyridin-4-ylmethoxy)aniline
PubChem CID16788077
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(pyridin-4-ylmethoxy)aniline
SMILESNc1ccccc1OCc1ccncc1
InChIInChI=1S/C12H12N2O/c13-11-3-1-2-4-12(11)15-9-10-5-7-14-8-6-10/h1-8H,9,13H2
InChIKeyYPVNRDAFIAQKDQ-UHFFFAOYSA-N
XLogP2.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.24
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-[(2-chloro-4-pyridinyl)methoxy]aniline
CID 62469846
trifluoro-[2-(pyridin-4-ylmethoxy)phenyl]boranuide
CID 63677237
2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline
CID 139627675
2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
CID 63598643
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
4-[(2,3-difluorophenoxy)methyl]pyridine
CID 141089252
2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline
CID 11460105
3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 53405811
3-phenylmethoxybenzene-1,2-diamine;hydrochloride
CID 172882825
4-[(2-fluoro-3-methylphenoxy)methyl]pyridine
CID 107661921
2-(pyridin-4-ylmethoxy)pyridine
CID 126954867
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethoxy)aniline?
The IUPAC name of 2-(pyridin-4-ylmethoxy)aniline (CID 16788077) is 2-(pyridin-4-ylmethoxy)aniline.
What is the SMILES notation for 2-(pyridin-4-ylmethoxy)aniline?
The canonical SMILES for 2-(pyridin-4-ylmethoxy)aniline is Nc1ccccc1OCc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethoxy)aniline?
The InChIKey is YPVNRDAFIAQKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-11-3-1-2-4-12(11)15-9-10-5-7-14-8-6-10/h1-8H,9,13H2.
What are the key properties of 2-(pyridin-4-ylmethoxy)aniline?
2-(pyridin-4-ylmethoxy)aniline has a molecular weight of 200.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethoxy)aniline is sourced from PubChem (CID 16788077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).