cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium

C16H24Cl2NO2+ — CID 7376022

IUPACcyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium
SMILESC[NH+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C16H23Cl2NO2/c1-19(13-5-3-2-4-6-13)10-14(20)11-21-16-8-7-12(17)9-15(16)18/h7-9,13-14,20H,2-6,10-11H2,1H3/p+1/t14-/m1/s1
InChIKeyRLVBTSREZWKFDM-CQSZACIVSA-O
MW333.28 g/mol
LogP2.58
Rot. Bonds6

About cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium

cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium (PubChem CID 7376022) has the molecular formula C16H24Cl2NO2+ and a molecular weight of 333.28 g/mol. Its IUPAC name is cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium.

Molecular Properties

Compound Namecyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium
PubChem CID7376022
Molecular FormulaC16H24Cl2NO2+
Molecular Weight333.28 g/mol
Exact Mass332.12
IUPAC Namecyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium
SMILESC[NH+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C16H23Cl2NO2/c1-19(13-5-3-2-4-6-13)10-14(20)11-21-16-8-7-12(17)9-15(16)18/h7-9,13-14,20H,2-6,10-11H2,1H3/p+1/t14-/m1/s1
InChIKeyRLVBTSREZWKFDM-CQSZACIVSA-O
XLogP2.58
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium 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

benzyl-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-ethylazanium
CID 7157672
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium
CID 6945163
(2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol
CID 6560044
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713244
cyclohexyl-[(2R)-2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-methylazanium
CID 2359529
1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol
CID 71384988
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005905

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium?
The IUPAC name of cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium (CID 7376022) is cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium.
What is the SMILES notation for cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium?
The canonical SMILES for cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium is C[NH+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium?
The InChIKey is RLVBTSREZWKFDM-CQSZACIVSA-O. The full InChI is InChI=1S/C16H23Cl2NO2/c1-19(13-5-3-2-4-6-13)10-14(20)11-21-16-8-7-12(17)9-15(16)18/h7-9,13-14,20H,2-6,10-11H2,1H3/p+1/t14-/m1/s1.
What are the key properties of cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium?
cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium has a molecular weight of 333.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-methylazanium is sourced from PubChem (CID 7376022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).