(1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol

C23H32NO3+ — CID 7336125

IUPAC(1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol
SMILESCCCCOc1ccc([C@H](O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H31NO3/c1-2-3-15-27-21-11-9-20(10-12-21)23(25)22(19-7-5-4-6-8-19)18-24-13-16-26-17-14-24/h4-12,22-23,25H,2-3,13-18H2,1H3/p+1/t22-,23+/m1/s1
InChIKeyAFMFNWNIOFULQN-PKTZIBPZSA-O
MW370.51 g/mol
LogP2.60
Rot. Bonds9

About (1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol

(1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol (PubChem CID 7336125) has the molecular formula C23H32NO3+ and a molecular weight of 370.51 g/mol. Its IUPAC name is (1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol
PubChem CID7336125
Molecular FormulaC23H32NO3+
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC Name(1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol
SMILESCCCCOc1ccc([C@H](O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H31NO3/c1-2-3-15-27-21-11-9-20(10-12-21)23(25)22(19-7-5-4-6-8-19)18-24-13-16-26-17-14-24/h4-12,22-23,25H,2-3,13-18H2,1H3/p+1/t22-,23+/m1/s1
InChIKeyAFMFNWNIOFULQN-PKTZIBPZSA-O
XLogP2.60
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol 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

3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 3326778
1-(4-pentoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride
CID 44654845
(1R,2R)-1-[4-(3-methylbutoxy)phenyl]-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol
CID 6961243
1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride
CID 44657642
2-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)ethanone chloride
CID 44657749
(4-butoxyphenyl)-(oxan-4-yl)methanol
CID 105097491
4-[(2R)-2-phenylpropyl]morpholin-4-ium
CID 6938323
1-(4-butoxyphenyl)-2-methylbutan-1-ol
CID 105116550
(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol
CID 7047424
2-(4-butoxyphenyl)-4-morpholin-4-ium-4-ylbutan-2-ol
CID 5179668
3-morpholin-4-ium-4-yl-1-(4-pentoxyphenyl)propan-1-one chloride
CID 44659622
3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol
CID 4067318

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol (CID 7336125) is (1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol is CCCCOc1ccc([C@H](O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol?
The InChIKey is AFMFNWNIOFULQN-PKTZIBPZSA-O. The full InChI is InChI=1S/C23H31NO3/c1-2-3-15-27-21-11-9-20(10-12-21)23(25)22(19-7-5-4-6-8-19)18-24-13-16-26-17-14-24/h4-12,22-23,25H,2-3,13-18H2,1H3/p+1/t22-,23+/m1/s1.
What are the key properties of (1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol?
(1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol has a molecular weight of 370.51 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol is sourced from PubChem (CID 7336125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).