2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline

C13H17NO2 — CID 63951891

IUPAC2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline
SMILESC#CCNc1ccc(C)cc1OCCOC
InChIInChI=1S/C13H17NO2/c1-4-7-14-12-6-5-11(2)10-13(12)16-9-8-15-3/h1,5-6,10,14H,7-9H2,2-3H3
InChIKeyXOWMOZQELHTFOW-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.07
Rot. Bonds6

About 2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline

2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline (PubChem CID 63951891) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline
PubChem CID63951891
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline
SMILESC#CCNc1ccc(C)cc1OCCOC
InChIInChI=1S/C13H17NO2/c1-4-7-14-12-6-5-11(2)10-13(12)16-9-8-15-3/h1,5-6,10,14H,7-9H2,2-3H3
InChIKeyXOWMOZQELHTFOW-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(2-methoxyethoxy)-4-methylaniline
CID 60935556
N-hexyl-2-(2-methoxyethoxy)-4-methylaniline
CID 54865095
2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81307043
1-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]methanesulfonamide
CID 83085433
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine
CID 103389254
N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide
CID 47311026
2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 60935301
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
CID 113225723
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline?
The IUPAC name of 2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline (CID 63951891) is 2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline.
What is the SMILES notation for 2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline?
The canonical SMILES for 2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline is C#CCNc1ccc(C)cc1OCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline?
The InChIKey is XOWMOZQELHTFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-7-14-12-6-5-11(2)10-13(12)16-9-8-15-3/h1,5-6,10,14H,7-9H2,2-3H3.
What are the key properties of 2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline?
2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline has a molecular weight of 219.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline is sourced from PubChem (CID 63951891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).