2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline

C16H20N2O2 — CID 60935301

IUPAC2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCOCCOc1cc(C)ccc1NCc1cccnc1
InChIInChI=1S/C16H20N2O2/c1-13-5-6-15(16(10-13)20-9-8-19-2)18-12-14-4-3-7-17-11-14/h3-7,10-11,18H,8-9,12H2,1-2H3
InChIKeyABAIAGGKVOAGML-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.03
Rot. Bonds7

About 2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline

2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 60935301) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline
PubChem CID60935301
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCOCCOc1cc(C)ccc1NCc1cccnc1
InChIInChI=1S/C16H20N2O2/c1-13-5-6-15(16(10-13)20-9-8-19-2)18-12-14-4-3-7-17-11-14/h3-7,10-11,18H,8-9,12H2,1-2H3
InChIKeyABAIAGGKVOAGML-UHFFFAOYSA-N
XLogP3.03
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline
CID 83961735
2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81307043
2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756640
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline
CID 63951891
6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82455574
methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate
CID 126832263
N-(2,4-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191360
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
3-(5-methyl-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine chloride
CID 53347743
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline (CID 60935301) is 2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline is COCCOc1cc(C)ccc1NCc1cccnc1.
What is the InChIKey of 2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is ABAIAGGKVOAGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13-5-6-15(16(10-13)20-9-8-19-2)18-12-14-4-3-7-17-11-14/h3-7,10-11,18H,8-9,12H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline?
2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 272.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 60935301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).