Reboxetine

C19H23NO3 — CID 127151

IUPAC(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
SMILESCCOC1=CC=CC=C1O[C@@H]([C@H]2CNCCO2)C3=CC=CC=C3
InChIInChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1
InChIKeyCBQGYUDMJHNJBX-RTBURBONSA-N
MW313.40 g/mol
LogP3.00
Rot. Bonds6

About Reboxetine

Reboxetine (PubChem CID 127151) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound NameReboxetine
PubChem CID127151
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
SMILESCCOC1=CC=CC=C1O[C@@H]([C@H]2CNCCO2)C3=CC=CC=C3
InChIInChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1
InChIKeyCBQGYUDMJHNJBX-RTBURBONSA-N
XLogP3.00
TPSA39.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity333

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze Reboxetine 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

Esreboxetine
CID 65856
Atomoxetine
CID 54841
Viloxazine
CID 5666
Viloxazine Hydrochloride
CID 71424
Atomoxetine Hydrochloride
CID 54840
Reboxetine Mesylate
CID 127150
(2R)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
CID 5311403
Bevantolol Hydrochloride
CID 39324
Bevantolol
CID 2372
Fomocaine
CID 71693
2-((2-Ethoxyphenoxy)(phenyl)methyl)morpholine
CID 3022645
Nisoxetine
CID 4500

Frequently Asked Questions

What is the IUPAC name of Reboxetine?
The IUPAC name of Reboxetine (CID 127151) is (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for Reboxetine?
The canonical SMILES for Reboxetine is CCOC1=CC=CC=C1O[C@@H]([C@H]2CNCCO2)C3=CC=CC=C3.
What is the InChIKey of Reboxetine?
The InChIKey is CBQGYUDMJHNJBX-RTBURBONSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1.
What are the key properties of Reboxetine?
Reboxetine has a molecular weight of 313.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Reboxetine is sourced from PubChem (CID 127151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).