N,N-diphenoxyethanamine

C14H15NO2 — CID 88599470

IUPACN,N-diphenoxyethanamine
SMILESCCN(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H15NO2/c1-2-15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyUMJPHISYIPZDIZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.30
Rot. Bonds5

About N,N-diphenoxyethanamine

N,N-diphenoxyethanamine (PubChem CID 88599470) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N,N-diphenoxyethanamine.

Molecular Properties

Compound NameN,N-diphenoxyethanamine
PubChem CID88599470
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN,N-diphenoxyethanamine
SMILESCCN(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H15NO2/c1-2-15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyUMJPHISYIPZDIZ-UHFFFAOYSA-N
XLogP3.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-diphenoxyethanamine 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

ethyl(phenoxy)carbamic acid
CID 87330615
1,2-dimethyl-1,2-diphenoxyhydrazine;hydrochloride
CID 172705670
[phenoxy(phosphanyl)amino]oxybenzene
CID 67310968
ethane;phenoxybenzene;propane
CID 90923491
N-methyl-N-phenoxybutanamide
CID 91433690
CID 87388151
CID 87388151
N-ethyl-2-methyl-N-phenoxytridecan-2-amine
CID 88748114
ethoxybenzene chloride
CID 21193593
anisole;argon;propane
CID 165043377
N,N-diethylethanamine;phenoxyboronic acid
CID 157075619
1-phenoxy-1-propan-2-ylhydrazine
CID 141047456
ethoxybenzene;molecular iodine
CID 67763605

Frequently Asked Questions

What is the IUPAC name of N,N-diphenoxyethanamine?
The IUPAC name of N,N-diphenoxyethanamine (CID 88599470) is N,N-diphenoxyethanamine.
What is the SMILES notation for N,N-diphenoxyethanamine?
The canonical SMILES for N,N-diphenoxyethanamine is CCN(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of N,N-diphenoxyethanamine?
The InChIKey is UMJPHISYIPZDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of N,N-diphenoxyethanamine?
N,N-diphenoxyethanamine has a molecular weight of 229.28 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenoxyethanamine is sourced from PubChem (CID 88599470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).