5-methyl-2-(2-pyridin-2-ylethoxy)aniline

C14H16N2O — CID 22046369

IUPAC5-methyl-2-(2-pyridin-2-ylethoxy)aniline
SMILESCc1ccc(OCCc2ccccn2)c(N)c1
InChIInChI=1S/C14H16N2O/c1-11-5-6-14(13(15)10-11)17-9-7-12-4-2-3-8-16-12/h2-6,8,10H,7,9,15H2,1H3
InChIKeyOODLEXPOVUKVAY-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.59
Rot. Bonds4

About 5-methyl-2-(2-pyridin-2-ylethoxy)aniline

5-methyl-2-(2-pyridin-2-ylethoxy)aniline (PubChem CID 22046369) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-methyl-2-(2-pyridin-2-ylethoxy)aniline.

Molecular Properties

Compound Name5-methyl-2-(2-pyridin-2-ylethoxy)aniline
PubChem CID22046369
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-methyl-2-(2-pyridin-2-ylethoxy)aniline
SMILESCc1ccc(OCCc2ccccn2)c(N)c1
InChIInChI=1S/C14H16N2O/c1-11-5-6-14(13(15)10-11)17-9-7-12-4-2-3-8-16-12/h2-6,8,10H,7,9,15H2,1H3
InChIKeyOODLEXPOVUKVAY-UHFFFAOYSA-N
XLogP2.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.59
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-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801
5-methyl-2-(3-phenoxypropoxy)aniline
CID 62056343
2-methoxy-4-(2-pyridin-2-ylethoxy)aniline
CID 63678212
3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline
CID 63734475
3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82921694
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
2-pyridin-2-ylethyl 3-(2-aminophenoxy)propanoate
CID 61314652
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000
2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371046
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-pyridin-2-ylethoxy)aniline?
The IUPAC name of 5-methyl-2-(2-pyridin-2-ylethoxy)aniline (CID 22046369) is 5-methyl-2-(2-pyridin-2-ylethoxy)aniline.
What is the SMILES notation for 5-methyl-2-(2-pyridin-2-ylethoxy)aniline?
The canonical SMILES for 5-methyl-2-(2-pyridin-2-ylethoxy)aniline is Cc1ccc(OCCc2ccccn2)c(N)c1.
What is the InChIKey of 5-methyl-2-(2-pyridin-2-ylethoxy)aniline?
The InChIKey is OODLEXPOVUKVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-5-6-14(13(15)10-11)17-9-7-12-4-2-3-8-16-12/h2-6,8,10H,7,9,15H2,1H3.
What are the key properties of 5-methyl-2-(2-pyridin-2-ylethoxy)aniline?
5-methyl-2-(2-pyridin-2-ylethoxy)aniline has a molecular weight of 228.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-pyridin-2-ylethoxy)aniline is sourced from PubChem (CID 22046369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).