2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol

C13H19NO2 — CID 107709367

IUPAC2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol
SMILESC=C(CNC)COc1ccc(CCO)cc1
InChIInChI=1S/C13H19NO2/c1-11(9-14-2)10-16-13-5-3-12(4-6-13)7-8-15/h3-6,14-15H,1,7-10H2,2H3
InChIKeyLMTDAEYWVSGQMP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.38
Rot. Bonds7

About 2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol

2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol (PubChem CID 107709367) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol
PubChem CID107709367
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol
SMILESC=C(CNC)COc1ccc(CCO)cc1
InChIInChI=1S/C13H19NO2/c1-11(9-14-2)10-16-13-5-3-12(4-6-13)7-8-15/h3-6,14-15H,1,7-10H2,2H3
InChIKeyLMTDAEYWVSGQMP-UHFFFAOYSA-N
XLogP1.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066711
N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide
CID 103074266
2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine
CID 103066721
2-[(4-chloro-3-methylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066340
2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066426
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066700
2-[4-(methoxymethoxy)phenyl]ethanol
CID 16638841
1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 60880421
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
2-[4-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107709363
N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 115494827

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol (CID 107709367) is 2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol is C=C(CNC)COc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol?
The InChIKey is LMTDAEYWVSGQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11(9-14-2)10-16-13-5-3-12(4-6-13)7-8-15/h3-6,14-15H,1,7-10H2,2H3.
What are the key properties of 2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol?
2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol is sourced from PubChem (CID 107709367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).