[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium

C14H21ClNO2+ — CID 7473337

IUPAC[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
SMILESO[C@H](C[NH2+]C1CCCC1)COc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c15-11-5-7-14(8-6-11)18-10-13(17)9-16-12-3-1-2-4-12/h5-8,12-13,16-17H,1-4,9-10H2/p+1/t13-/m1/s1
InChIKeyXRBSUFANRDQJGJ-CYBMUJFWSA-O
MW270.78 g/mol
LogP1.59
Rot. Bonds6

About [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium

[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium (PubChem CID 7473337) has the molecular formula C14H21ClNO2+ and a molecular weight of 270.78 g/mol. Its IUPAC name is [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium.

Molecular Properties

Compound Name[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
PubChem CID7473337
Molecular FormulaC14H21ClNO2+
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
SMILESO[C@H](C[NH2+]C1CCCC1)COc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c15-11-5-7-14(8-6-11)18-10-13(17)9-16-12-3-1-2-4-12/h5-8,12-13,16-17H,1-4,9-10H2/p+1/t13-/m1/s1
InChIKeyXRBSUFANRDQJGJ-CYBMUJFWSA-O
XLogP1.59
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium
CID 7473365
[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187887
cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium
CID 7473347
[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187889
[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium
CID 2102085
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium
CID 7420719
4-(4-chlorophenoxy)butyl-cyclohexylazanium
CID 2194993
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium?
The IUPAC name of [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium (CID 7473337) is [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium.
What is the SMILES notation for [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium?
The canonical SMILES for [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium is O[C@H](C[NH2+]C1CCCC1)COc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium?
The InChIKey is XRBSUFANRDQJGJ-CYBMUJFWSA-O. The full InChI is InChI=1S/C14H20ClNO2/c15-11-5-7-14(8-6-11)18-10-13(17)9-16-12-3-1-2-4-12/h5-8,12-13,16-17H,1-4,9-10H2/p+1/t13-/m1/s1.
What are the key properties of [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium?
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium has a molecular weight of 270.78 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium is sourced from PubChem (CID 7473337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).