4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline

C15H18N2O — CID 54865375

IUPAC4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCCOc1ccc(NCc2ccccn2)c(C)c1
InChIInChI=1S/C15H18N2O/c1-3-18-14-7-8-15(12(2)10-14)17-11-13-6-4-5-9-16-13/h4-10,17H,3,11H2,1-2H3
InChIKeyJZEINIMUTSJPTN-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.40
Rot. Bonds5

About 4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline

4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline (PubChem CID 54865375) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
PubChem CID54865375
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCCOc1ccc(NCc2ccccn2)c(C)c1
InChIInChI=1S/C15H18N2O/c1-3-18-14-7-8-15(12(2)10-14)17-11-13-6-4-5-9-16-13/h4-10,17H,3,11H2,1-2H3
InChIKeyJZEINIMUTSJPTN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 60930495
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
3-methyl-4-(pyridin-2-ylmethylamino)benzoate
CID 7420321
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104599914
N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
CID 115523834
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113247946
4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54865353
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline (CID 54865375) is 4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline is CCOc1ccc(NCc2ccccn2)c(C)c1.
What is the InChIKey of 4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is JZEINIMUTSJPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-18-14-7-8-15(12(2)10-14)17-11-13-6-4-5-9-16-13/h4-10,17H,3,11H2,1-2H3.
What are the key properties of 4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline?
4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)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 4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 54865375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).