[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium

C18H23ClNO2+ — CID 6988816

IUPAC[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium
SMILESCc1cc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C18H22ClNO2/c1-13-10-17(8-9-18(13)19)22-12-16(21)11-20-14(2)15-6-4-3-5-7-15/h3-10,14,16,20-21H,11-12H2,1-2H3/p+1/t14-,16+/m0/s1
InChIKeyCOZCCBGXWRWDCY-GOEBONIOSA-O
MW320.84 g/mol
LogP2.71
Rot. Bonds7

About [(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium

[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium (PubChem CID 6988816) has the molecular formula C18H23ClNO2+ and a molecular weight of 320.84 g/mol. Its IUPAC name is [(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium
PubChem CID6988816
Molecular FormulaC18H23ClNO2+
Molecular Weight320.84 g/mol
Exact Mass320.14
IUPAC Name[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium
SMILESCc1cc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C18H22ClNO2/c1-13-10-17(8-9-18(13)19)22-12-16(21)11-20-14(2)15-6-4-3-5-7-15/h3-10,14,16,20-21H,11-12H2,1-2H3/p+1/t14-,16+/m0/s1
InChIKeyCOZCCBGXWRWDCY-GOEBONIOSA-O
XLogP2.71
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium with MolForge

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Related Compounds

[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium
CID 7482041
[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]azanium
CID 7733701
tert-butyl-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]azanium
CID 4151647
[(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium
CID 6957345
[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 7721871
[(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 2520203
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
CID 60901313
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium
CID 2514040
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-(4-chloro-3-methylphenoxy)-3-(2,3-dimethylbutylamino)propan-2-ol
CID 64571131
[(2S)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]azanium
CID 7482163

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium?
The IUPAC name of [(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium (CID 6988816) is [(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium.
What is the SMILES notation for [(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium?
The canonical SMILES for [(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium is Cc1cc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)ccc1Cl.
What is the InChIKey of [(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium?
The InChIKey is COZCCBGXWRWDCY-GOEBONIOSA-O. The full InChI is InChI=1S/C18H22ClNO2/c1-13-10-17(8-9-18(13)19)22-12-16(21)11-20-14(2)15-6-4-3-5-7-15/h3-10,14,16,20-21H,11-12H2,1-2H3/p+1/t14-,16+/m0/s1.
What are the key properties of [(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium?
[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium has a molecular weight of 320.84 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 6988816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).