2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline

C17H22N2O2 — CID 81307043

IUPAC2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCOCCOc1cc(C)ccc1NCc1ccc(C)cn1
InChIInChI=1S/C17H22N2O2/c1-13-5-7-16(17(10-13)21-9-8-20-3)19-12-15-6-4-14(2)11-18-15/h4-7,10-11,19H,8-9,12H2,1-3H3
InChIKeyNUYPUEDHIOOUTN-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.34
Rot. Bonds7

About 2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline

2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline (PubChem CID 81307043) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
PubChem CID81307043
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCOCCOc1cc(C)ccc1NCc1ccc(C)cn1
InChIInChI=1S/C17H22N2O2/c1-13-5-7-16(17(10-13)21-9-8-20-3)19-12-15-6-4-14(2)11-18-15/h4-7,10-11,19H,8-9,12H2,1-3H3
InChIKeyNUYPUEDHIOOUTN-UHFFFAOYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.34
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

N-benzyl-2-(2-methoxyethoxy)-4-methylaniline
CID 60935556
6-[(2-methoxy-4-methylanilino)methyl]pyridin-3-ol
CID 79782889
2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 60935301
2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline
CID 63951891
2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685047
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 60934173
4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 81311267
N-hexyl-2-(2-methoxyethoxy)-4-methylaniline
CID 54865095
N-[2-methoxy-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 80711477
methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81312860

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline (CID 81307043) is 2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline is COCCOc1cc(C)ccc1NCc1ccc(C)cn1.
What is the InChIKey of 2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is NUYPUEDHIOOUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-5-7-16(17(10-13)21-9-8-20-3)19-12-15-6-4-14(2)11-18-15/h4-7,10-11,19H,8-9,12H2,1-3H3.
What are the key properties of 2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline?
2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 286.38 g/mol, XLogP of 3.34, 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-[(5-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 81307043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).