4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol

C14H19NO2 — CID 14635649

IUPAC4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol
SMILESCNCCc1ccc(O)c(/C=C\C2(C)CO2)c1
InChIInChI=1S/C14H19NO2/c1-14(10-17-14)7-5-12-9-11(6-8-15-2)3-4-13(12)16/h3-5,7,9,15-16H,6,8,10H2,1-2H3/b7-5-
InChIKeyNQFQDPGLVRKKDY-ALCCZGGFSA-N
MW233.31 g/mol
LogP1.96
Rot. Bonds5

About 4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol

4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol (PubChem CID 14635649) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol
PubChem CID14635649
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol
SMILESCNCCc1ccc(O)c(/C=C\C2(C)CO2)c1
InChIInChI=1S/C14H19NO2/c1-14(10-17-14)7-5-12-9-11(6-8-15-2)3-4-13(12)16/h3-5,7,9,15-16H,6,8,10H2,1-2H3/b7-5-
InChIKeyNQFQDPGLVRKKDY-ALCCZGGFSA-N
XLogP1.96
TPSA44.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol?
The IUPAC name of 4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol (CID 14635649) is 4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol.
What is the SMILES notation for 4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol?
The canonical SMILES for 4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol is CNCCc1ccc(O)c(/C=C\C2(C)CO2)c1.
What is the InChIKey of 4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol?
The InChIKey is NQFQDPGLVRKKDY-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(10-17-14)7-5-12-9-11(6-8-15-2)3-4-13(12)16/h3-5,7,9,15-16H,6,8,10H2,1-2H3/b7-5-.
What are the key properties of 4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol?
4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol has a molecular weight of 233.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]-2-[(Z)-2-(2-methyloxiran-2-yl)ethenyl]phenol is sourced from PubChem (CID 14635649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).