3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol

C13H21NO3 — CID 66168780

IUPAC3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol
SMILESCCOc1cccc(CNCC(C)(O)CO)c1
InChIInChI=1S/C13H21NO3/c1-3-17-12-6-4-5-11(7-12)8-14-9-13(2,16)10-15/h4-7,14-16H,3,8-10H2,1-2H3
InChIKeyRAEVMAREDRTBHM-UHFFFAOYSA-N
MW239.31 g/mol
LogP0.92
Rot. Bonds7

About 3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol

3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol (PubChem CID 66168780) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol
PubChem CID66168780
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol
SMILESCCOc1cccc(CNCC(C)(O)CO)c1
InChIInChI=1S/C13H21NO3/c1-3-17-12-6-4-5-11(7-12)8-14-9-13(2,16)10-15/h4-7,14-16H,3,8-10H2,1-2H3
InChIKeyRAEVMAREDRTBHM-UHFFFAOYSA-N
XLogP0.92
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol 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-[3-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]phenoxy]acetonitrile
CID 66169023
2-methyl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 107104503
N-[(3-ethoxyphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 60957806
2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol
CID 111467685
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295669
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
5-[(3-ethoxyphenyl)methylamino]pentan-1-ol
CID 17206726
2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol
CID 115630491
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol
CID 66169814
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
N-[(3-ethoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527853

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol (CID 66168780) is 3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol is CCOc1cccc(CNCC(C)(O)CO)c1.
What is the InChIKey of 3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol?
The InChIKey is RAEVMAREDRTBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-17-12-6-4-5-11(7-12)8-14-9-13(2,16)10-15/h4-7,14-16H,3,8-10H2,1-2H3.
What are the key properties of 3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol?
3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol has a molecular weight of 239.31 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66168780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).