Medifoxamine

C16H19NO2 — CID 36109

IUPACN,N-dimethyl-2,2-diphenoxyethanamine
SMILESCN(C)CC(OC1=CC=CC=C1)OC2=CC=CC=C2
InChIInChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKeyQNMGHBMGNRQPNL-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.80
Rot. Bonds6

About Medifoxamine

Medifoxamine (PubChem CID 36109) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N,N-dimethyl-2,2-diphenoxyethanamine.

Molecular Properties

Compound NameMedifoxamine
PubChem CID36109
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN,N-dimethyl-2,2-diphenoxyethanamine
SMILESCN(C)CC(OC1=CC=CC=C1)OC2=CC=CC=C2
InChIInChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKeyQNMGHBMGNRQPNL-UHFFFAOYSA-N
XLogP3.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity213

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Pramoxine
CID 4886
(2-Dimethylaminoethoxy)benzene
CID 26050
N,N-Dimethyl-2-(4-Phenoxyphenoxy)ethanamine
CID 87057595
N,N-bis(2-phenoxyethyl)acetamide
CID 728964
Diethyl(2-phenoxyethyl)amine
CID 66150
1,4-Bis(2-phenoxyethyl)piperazine
CID 95748
4-[2-(4-Methoxyphenoxy)ethyl]morpholine
CID 1369444
1-[Methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol
CID 4309964
4-[2-(2-Phenoxyethoxy)ethyl]morpholine
CID 520427
1-[2-(4-Phenoxyphenoxy)ethyl]pyrrolidine
CID 9993978
(2-Phenoxy-ethyl)-(3-phenoxy-propyl)-amine
CID 10588194
N,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride
CID 16736714

Frequently Asked Questions

What is the IUPAC name of Medifoxamine?
The IUPAC name of Medifoxamine (CID 36109) is N,N-dimethyl-2,2-diphenoxyethanamine.
What is the SMILES notation for Medifoxamine?
The canonical SMILES for Medifoxamine is CN(C)CC(OC1=CC=CC=C1)OC2=CC=CC=C2.
What is the InChIKey of Medifoxamine?
The InChIKey is QNMGHBMGNRQPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3.
What are the key properties of Medifoxamine?
Medifoxamine has a molecular weight of 257.33 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Medifoxamine is sourced from PubChem (CID 36109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).