(3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine

C14H18BrNO2 — CID 166487147

IUPAC(3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine
SMILESBrc1ccc(OC[C@@H]2COC[C@H](C3CC3)N2)cc1
InChIInChI=1S/C14H18BrNO2/c15-11-3-5-13(6-4-11)18-8-12-7-17-9-14(16-12)10-1-2-10/h3-6,10,12,14,16H,1-2,7-9H2/t12-,14+/m0/s1
InChIKeyGZGLFPZKWHMZJI-GXTWGEPZSA-N
MW312.21 g/mol
LogP2.59
Rot. Bonds4

About (3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine

(3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine (PubChem CID 166487147) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine.

Molecular Properties

Compound Name(3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine
PubChem CID166487147
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine
SMILESBrc1ccc(OC[C@@H]2COC[C@H](C3CC3)N2)cc1
InChIInChI=1S/C14H18BrNO2/c15-11-3-5-13(6-4-11)18-8-12-7-17-9-14(16-12)10-1-2-10/h3-6,10,12,14,16H,1-2,7-9H2/t12-,14+/m0/s1
InChIKeyGZGLFPZKWHMZJI-GXTWGEPZSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine?
The IUPAC name of (3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine (CID 166487147) is (3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine.
What is the SMILES notation for (3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine?
The canonical SMILES for (3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine is Brc1ccc(OC[C@@H]2COC[C@H](C3CC3)N2)cc1.
What is the InChIKey of (3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine?
The InChIKey is GZGLFPZKWHMZJI-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-11-3-5-13(6-4-11)18-8-12-7-17-9-14(16-12)10-1-2-10/h3-6,10,12,14,16H,1-2,7-9H2/t12-,14+/m0/s1.
What are the key properties of (3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine?
(3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine has a molecular weight of 312.21 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-[(4-bromophenoxy)methyl]-5-cyclopropylmorpholine is sourced from PubChem (CID 166487147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).