2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol

C14H21NO4 — CID 82727171

IUPAC2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol
SMILESCOc1ccc(NC2CCOC2C)cc1OCCO
InChIInChI=1S/C14H21NO4/c1-10-12(5-7-18-10)15-11-3-4-13(17-2)14(9-11)19-8-6-16/h3-4,9-10,12,15-16H,5-8H2,1-2H3
InChIKeyLUOBLEQJAMEOFM-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.66
Rot. Bonds6

About 2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol

2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol (PubChem CID 82727171) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol
PubChem CID82727171
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol
SMILESCOc1ccc(NC2CCOC2C)cc1OCCO
InChIInChI=1S/C14H21NO4/c1-10-12(5-7-18-10)15-11-3-4-13(17-2)14(9-11)19-8-6-16/h3-4,9-10,12,15-16H,5-8H2,1-2H3
InChIKeyLUOBLEQJAMEOFM-UHFFFAOYSA-N
XLogP1.66
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]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-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine
CID 82716607
N-(4-ethoxy-3-methoxyphenyl)-2-methyloxolan-3-amine
CID 82726780
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyloxolan-3-amine
CID 82727091
2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol
CID 65081754
2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol
CID 54906415
2-[3-(2-hydroxyethoxy)-4-methoxyanilino]propanoic acid
CID 66173740
N-methyl-2-[3-[(2-methyloxolan-3-yl)amino]phenoxy]acetamide
CID 82727757
2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
CID 79346534
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 104900490
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
3-[3-(2-hydroxyethoxy)-4-methoxyanilino]-3-oxopropanoic acid
CID 55049598

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol (CID 82727171) is 2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol is COc1ccc(NC2CCOC2C)cc1OCCO.
What is the InChIKey of 2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol?
The InChIKey is LUOBLEQJAMEOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-12(5-7-18-10)15-11-3-4-13(17-2)14(9-11)19-8-6-16/h3-4,9-10,12,15-16H,5-8H2,1-2H3.
What are the key properties of 2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol?
2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol has a molecular weight of 267.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol is sourced from PubChem (CID 82727171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).