2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol

C14H22N2O — CID 103070296

IUPAC2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNC)CN(CCO)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-13(10-15-2)11-16(8-9-17)12-14-6-4-3-5-7-14/h3-7,15,17H,1,8-12H2,2H3
InChIKeyHUESTHGDXINCAV-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.26
Rot. Bonds8

About 2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol

2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol (PubChem CID 103070296) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
PubChem CID103070296
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNC)CN(CCO)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-13(10-15-2)11-16(8-9-17)12-14-6-4-3-5-7-14/h3-7,15,17H,1,8-12H2,2H3
InChIKeyHUESTHGDXINCAV-UHFFFAOYSA-N
XLogP1.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]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-[benzyl(2-bromoprop-2-enyl)amino]ethanol
CID 62115476
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
CID 111110287
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[benzyl(nonyl)amino]ethanol
CID 63469962
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
CID 107367618
2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
CID 110880251
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol (CID 103070296) is 2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol is C=C(CNC)CN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
The InChIKey is HUESTHGDXINCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-13(10-15-2)11-16(8-9-17)12-14-6-4-3-5-7-14/h3-7,15,17H,1,8-12H2,2H3.
What are the key properties of 2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 103070296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).