3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline

C15H18N2O — CID 112650113

IUPAC3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
SMILESCCOc1cccc(NCc2ncccc2C)c1
InChIInChI=1S/C15H18N2O/c1-3-18-14-8-4-7-13(10-14)17-11-15-12(2)6-5-9-16-15/h4-10,17H,3,11H2,1-2H3
InChIKeyRNXOQOLJHSKRQA-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.40
Rot. Bonds5

About 3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline

3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline (PubChem CID 112650113) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
PubChem CID112650113
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
SMILESCCOc1cccc(NCc2ncccc2C)c1
InChIInChI=1S/C15H18N2O/c1-3-18-14-8-4-7-13(10-14)17-11-15-12(2)6-5-9-16-15/h4-10,17H,3,11H2,1-2H3
InChIKeyRNXOQOLJHSKRQA-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650029
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
4-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650022
3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
CID 113424030
5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 63305919
3-ethoxy-N-propylaniline
CID 54800867
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline
CID 54865539
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
4-N-[(3-methyl-2-pyridinyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63675740
N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline
CID 112582167
N'-(3,5-dimethylphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807611
N-[(3-methyl-2-pyridinyl)methyl]thiophen-3-amine
CID 112650234

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline (CID 112650113) is 3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline is CCOc1cccc(NCc2ncccc2C)c1.
What is the InChIKey of 3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is RNXOQOLJHSKRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-18-14-8-4-7-13(10-14)17-11-15-12(2)6-5-9-16-15/h4-10,17H,3,11H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline?
3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 242.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 112650113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).