3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol

C14H23NO3 — CID 46986793

IUPAC3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol
SMILESCCc1ccccc1OCCN(C)CC(O)CO
InChIInChI=1S/C14H23NO3/c1-3-12-6-4-5-7-14(12)18-9-8-15(2)10-13(17)11-16/h4-7,13,16-17H,3,8-11H2,1-2H3
InChIKeyMQZQKYPCCNYASW-UHFFFAOYSA-N
MW253.34 g/mol
LogP0.91
Rot. Bonds8

About 3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol

3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol (PubChem CID 46986793) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol
PubChem CID46986793
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol
SMILESCCc1ccccc1OCCN(C)CC(O)CO
InChIInChI=1S/C14H23NO3/c1-3-12-6-4-5-7-14(12)18-9-8-15(2)10-13(17)11-16/h4-7,13,16-17H,3,8-11H2,1-2H3
InChIKeyMQZQKYPCCNYASW-UHFFFAOYSA-N
XLogP0.91
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-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

1-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-3-methoxypropan-2-ol
CID 54993616
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylpropan-1-amine
CID 62420920
N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine
CID 123572805
1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 78896461
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62420921
3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122415
1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
CID 63694109
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
4-(2-ethylphenoxy)butanamide
CID 82040636
3-[3-benzhydryloxypropyl(methyl)amino]propane-1,2-diol;oxalic acid
CID 110194005
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol?
The IUPAC name of 3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol (CID 46986793) is 3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol?
The canonical SMILES for 3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol is CCc1ccccc1OCCN(C)CC(O)CO.
What is the InChIKey of 3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol?
The InChIKey is MQZQKYPCCNYASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-12-6-4-5-7-14(12)18-9-8-15(2)10-13(17)11-16/h4-7,13,16-17H,3,8-11H2,1-2H3.
What are the key properties of 3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol?
3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol has a molecular weight of 253.34 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol is sourced from PubChem (CID 46986793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).