2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol

C15H23NO4 — CID 65081754

IUPAC2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol
SMILESCOc1ccc(NC2CCCOCC2)cc1OCCO
InChIInChI=1S/C15H23NO4/c1-18-14-5-4-13(11-15(14)20-10-7-17)16-12-3-2-8-19-9-6-12/h4-5,11-12,16-17H,2-3,6-10H2,1H3
InChIKeyPWZNVHGMHJBRMF-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.05
Rot. Bonds6

About 2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol

2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol (PubChem CID 65081754) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol
PubChem CID65081754
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol
SMILESCOc1ccc(NC2CCCOCC2)cc1OCCO
InChIInChI=1S/C15H23NO4/c1-18-14-5-4-13(11-15(14)20-10-7-17)16-12-3-2-8-19-9-6-12/h4-5,11-12,16-17H,2-3,6-10H2,1H3
InChIKeyPWZNVHGMHJBRMF-UHFFFAOYSA-N
XLogP2.05
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.05
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-(oxepan-4-ylamino)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

2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol
CID 54906415
2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol
CID 82727171
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
N-(4-ethoxy-3-fluorophenyl)oxepan-4-amine
CID 115919016
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
4-methoxy-3-(oxepan-4-ylamino)benzamide
CID 65081746
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
N-(4-ethoxyphenyl)oxepan-4-amine
CID 65076928
N-[2-(3,4-dimethoxyphenyl)ethyl]oxepan-4-amine
CID 65076929
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 104900490
N-(3,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087618

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol (CID 65081754) is 2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol is COc1ccc(NC2CCCOCC2)cc1OCCO.
What is the InChIKey of 2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol?
The InChIKey is PWZNVHGMHJBRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-14-5-4-13(11-15(14)20-10-7-17)16-12-3-2-8-19-9-6-12/h4-5,11-12,16-17H,2-3,6-10H2,1H3.
What are the key properties of 2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol?
2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol has a molecular weight of 281.35 g/mol, XLogP of 2.05, 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-(oxepan-4-ylamino)phenoxy]ethanol is sourced from PubChem (CID 65081754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).