2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline

C16H20N2O — CID 104756640

IUPAC2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCCOc1cc(C)ccc1NCc1ccc(C)nc1
InChIInChI=1S/C16H20N2O/c1-4-19-16-9-12(2)5-8-15(16)18-11-14-7-6-13(3)17-10-14/h5-10,18H,4,11H2,1-3H3
InChIKeyJRUKUNOZGDGRND-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.71
Rot. Bonds5

About 2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline

2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline (PubChem CID 104756640) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
PubChem CID104756640
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCCOc1cc(C)ccc1NCc1ccc(C)nc1
InChIInChI=1S/C16H20N2O/c1-4-19-16-9-12(2)5-8-15(16)18-11-14-7-6-13(3)17-10-14/h5-10,18H,4,11H2,1-3H3
InChIKeyJRUKUNOZGDGRND-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline
CID 106528416
N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline
CID 105401396
2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline
CID 54864631
3-[(2-ethoxy-4-methylanilino)methyl]phenol
CID 54864734
2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936544
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline
CID 66133417
2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 60935301
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-4-methylaniline
CID 63120648
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline
CID 104749166
2-ethoxy-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 87029742

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline (CID 104756640) is 2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline is CCOc1cc(C)ccc1NCc1ccc(C)nc1.
What is the InChIKey of 2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is JRUKUNOZGDGRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-19-16-9-12(2)5-8-15(16)18-11-14-7-6-13(3)17-10-14/h5-10,18H,4,11H2,1-3H3.
What are the key properties of 2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline?
2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline has a molecular weight of 256.35 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 104756640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).