2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol

C14H23NO2 — CID 60691972

IUPAC2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
SMILESCc1cccc(OCCN(CCO)C(C)C)c1
InChIInChI=1S/C14H23NO2/c1-12(2)15(7-9-16)8-10-17-14-6-4-5-13(3)11-14/h4-6,11-12,16H,7-10H2,1-3H3
InChIKeyUPFJFKIVSOAZJL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.08
Rot. Bonds7

About 2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol

2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol (PubChem CID 60691972) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
PubChem CID60691972
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
SMILESCc1cccc(OCCN(CCO)C(C)C)c1
InChIInChI=1S/C14H23NO2/c1-12(2)15(7-9-16)8-10-17-14-6-4-5-13(3)11-14/h4-6,11-12,16H,7-10H2,1-3H3
InChIKeyUPFJFKIVSOAZJL-UHFFFAOYSA-N
XLogP2.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]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

N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 43573145
N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide
CID 60653323
N,N-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
CID 78818766
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N-(2-bromoethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 80666425
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
N-butan-2-yl-N-ethyl-4-(3-methylphenoxy)butan-1-amine
CID 20829003
2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691858
3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022557
2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid
CID 79269116
5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
CID 82011195
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol (CID 60691972) is 2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol is Cc1cccc(OCCN(CCO)C(C)C)c1.
What is the InChIKey of 2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol?
The InChIKey is UPFJFKIVSOAZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(2)15(7-9-16)8-10-17-14-6-4-5-13(3)11-14/h4-6,11-12,16H,7-10H2,1-3H3.
What are the key properties of 2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol?
2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 60691972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).