2-methyl-6-(2-pyridin-2-ylethoxy)aniline

C14H16N2O — CID 60892801

IUPAC2-methyl-6-(2-pyridin-2-ylethoxy)aniline
SMILESCc1cccc(OCCc2ccccn2)c1N
InChIInChI=1S/C14H16N2O/c1-11-5-4-7-13(14(11)15)17-10-8-12-6-2-3-9-16-12/h2-7,9H,8,10,15H2,1H3
InChIKeySHVVORWKOBLMIX-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.59
Rot. Bonds4

About 2-methyl-6-(2-pyridin-2-ylethoxy)aniline

2-methyl-6-(2-pyridin-2-ylethoxy)aniline (PubChem CID 60892801) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-methyl-6-(2-pyridin-2-ylethoxy)aniline.

Molecular Properties

Compound Name2-methyl-6-(2-pyridin-2-ylethoxy)aniline
PubChem CID60892801
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-methyl-6-(2-pyridin-2-ylethoxy)aniline
SMILESCc1cccc(OCCc2ccccn2)c1N
InChIInChI=1S/C14H16N2O/c1-11-5-4-7-13(14(11)15)17-10-8-12-6-2-3-9-16-12/h2-7,9H,8,10,15H2,1H3
InChIKeySHVVORWKOBLMIX-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-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
5-methyl-2-(2-pyridin-2-ylethoxy)aniline
CID 22046369
2-(2-aminoethoxy)-6-methylaniline
CID 82502971
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
5-methyl-4-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 80865287
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
CID 60891453
2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline
CID 146356235
2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline
CID 79146225
1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone
CID 29006281
2-amino-5-bromo-3-(2-pyridin-2-ylethoxy)benzonitrile
CID 58540785
2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912749

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-pyridin-2-ylethoxy)aniline?
The IUPAC name of 2-methyl-6-(2-pyridin-2-ylethoxy)aniline (CID 60892801) is 2-methyl-6-(2-pyridin-2-ylethoxy)aniline.
What is the SMILES notation for 2-methyl-6-(2-pyridin-2-ylethoxy)aniline?
The canonical SMILES for 2-methyl-6-(2-pyridin-2-ylethoxy)aniline is Cc1cccc(OCCc2ccccn2)c1N.
What is the InChIKey of 2-methyl-6-(2-pyridin-2-ylethoxy)aniline?
The InChIKey is SHVVORWKOBLMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-5-4-7-13(14(11)15)17-10-8-12-6-2-3-9-16-12/h2-7,9H,8,10,15H2,1H3.
What are the key properties of 2-methyl-6-(2-pyridin-2-ylethoxy)aniline?
2-methyl-6-(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 2-methyl-6-(2-pyridin-2-ylethoxy)aniline is sourced from PubChem (CID 60892801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).