[(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium

C24H33ClNO3+ — CID 7872368

IUPAC[(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium
SMILESC[C@H](OC[C@H](O)C[NH+](Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H32ClNO3/c1-18(19-11-13-21(25)14-12-19)29-17-23(27)16-26(22-8-3-2-4-9-22)15-20-7-5-6-10-24(20)28/h5-7,10-14,18,22-23,27-28H,2-4,8-9,15-17H2,1H3/p+1/t18-,23+/m0/s1
InChIKeyPCQAVHYILBMYFS-FDDCHVKYSA-O
MW418.99 g/mol
LogP3.90
Rot. Bonds9

About [(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium

[(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium (PubChem CID 7872368) has the molecular formula C24H33ClNO3+ and a molecular weight of 418.99 g/mol. Its IUPAC name is [(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium
PubChem CID7872368
Molecular FormulaC24H33ClNO3+
Molecular Weight418.99 g/mol
Exact Mass418.21
IUPAC Name[(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium
SMILESC[C@H](OC[C@H](O)C[NH+](Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H32ClNO3/c1-18(19-11-13-21(25)14-12-19)29-17-23(27)16-26(22-8-3-2-4-9-22)15-20-7-5-6-10-24(20)28/h5-7,10-14,18,22-23,27-28H,2-4,8-9,15-17H2,1H3/p+1/t18-,23+/m0/s1
InChIKeyPCQAVHYILBMYFS-FDDCHVKYSA-O
XLogP3.90
TPSA54.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.99
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze [(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium 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

2-[[[(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexylamino]methyl]phenol
CID 7872369
1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol
CID 4801613
[(2S)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7907512
[(2S)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-[(1S,2R,3R)-2,3-dimethylcyclohexyl]azanium
CID 11920484
(2S)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 7872753
1-[1-(4-chlorophenyl)ethoxy]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 110891581
(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
CID 26917919
dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium
CID 2327881
1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
3-[(2S)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31569790
1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 110882740
[2-(benzhydrylamino)-2-oxoethyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium
CID 2393745

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium?
The IUPAC name of [(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium (CID 7872368) is [(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium.
What is the SMILES notation for [(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium?
The canonical SMILES for [(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium is C[C@H](OC[C@H](O)C[NH+](Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium?
The InChIKey is PCQAVHYILBMYFS-FDDCHVKYSA-O. The full InChI is InChI=1S/C24H32ClNO3/c1-18(19-11-13-21(25)14-12-19)29-17-23(27)16-26(22-8-3-2-4-9-22)15-20-7-5-6-10-24(20)28/h5-7,10-14,18,22-23,27-28H,2-4,8-9,15-17H2,1H3/p+1/t18-,23+/m0/s1.
What are the key properties of [(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium?
[(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium has a molecular weight of 418.99 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexyl-[(2-hydroxyphenyl)methyl]azanium is sourced from PubChem (CID 7872368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).