cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium

C16H26NO2+ — CID 7473347

IUPACcyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium
SMILESCc1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1C
InChIInChI=1S/C16H25NO2/c1-12-7-8-16(9-13(12)2)19-11-15(18)10-17-14-5-3-4-6-14/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3/p+1/t15-/m0/s1
InChIKeyIOPMSOCYEHUKKP-HNNXBMFYSA-O
MW264.39 g/mol
LogP1.55
Rot. Bonds6

About cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium

cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium (PubChem CID 7473347) has the molecular formula C16H26NO2+ and a molecular weight of 264.39 g/mol. Its IUPAC name is cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Namecyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium
PubChem CID7473347
Molecular FormulaC16H26NO2+
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Namecyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium
SMILESCc1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1C
InChIInChI=1S/C16H25NO2/c1-12-7-8-16(9-13(12)2)19-11-15(18)10-17-14-5-3-4-6-14/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3/p+1/t15-/m0/s1
InChIKeyIOPMSOCYEHUKKP-HNNXBMFYSA-O
XLogP1.55
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]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

cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium
CID 7473365
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7473337
[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187887
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 7721871
[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187889
[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium
CID 2102085
(2S)-1-(3,4-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869840
1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2881965
1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
CID 104748507
1-(3,4-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237821
[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium
CID 7420719

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium?
The IUPAC name of cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium (CID 7473347) is cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium.
What is the SMILES notation for cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium?
The canonical SMILES for cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium is Cc1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1C.
What is the InChIKey of cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium?
The InChIKey is IOPMSOCYEHUKKP-HNNXBMFYSA-O. The full InChI is InChI=1S/C16H25NO2/c1-12-7-8-16(9-13(12)2)19-11-15(18)10-17-14-5-3-4-6-14/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3/p+1/t15-/m0/s1.
What are the key properties of cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium?
cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium has a molecular weight of 264.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium is sourced from PubChem (CID 7473347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).