[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium

C18H30NO2+ — CID 7187890

IUPAC[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium
SMILESCC[C@@H](C)c1ccccc1OC[C@H](O)C[NH2+]C1CCCC1
InChIInChI=1S/C18H29NO2/c1-3-14(2)17-10-6-7-11-18(17)21-13-16(20)12-19-15-8-4-5-9-15/h6-7,10-11,14-16,19-20H,3-5,8-9,12-13H2,1-2H3/p+1/t14-,16-/m1/s1
InChIKeySEMVAIPUVQLEHH-GDBMZVCRSA-O
MW292.44 g/mol
LogP2.45
Rot. Bonds8

About [(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium

[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium (PubChem CID 7187890) has the molecular formula C18H30NO2+ and a molecular weight of 292.44 g/mol. Its IUPAC name is [(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium.

Molecular Properties

Compound Name[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium
PubChem CID7187890
Molecular FormulaC18H30NO2+
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium
SMILESCC[C@@H](C)c1ccccc1OC[C@H](O)C[NH2+]C1CCCC1
InChIInChI=1S/C18H29NO2/c1-3-14(2)17-10-6-7-11-18(17)21-13-16(20)12-19-15-8-4-5-9-15/h6-7,10-11,14-16,19-20H,3-5,8-9,12-13H2,1-2H3/p+1/t14-,16-/m1/s1
InChIKeySEMVAIPUVQLEHH-GDBMZVCRSA-O
XLogP2.45
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(2S)-butan-2-yl]phenoxy]propyl-cyclopentylazanium
CID 2199598
[(2R)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]-tert-butylazanium
CID 7025134
[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium
CID 7420719
cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium
CID 2142734
(2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7025108
[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]azanium
CID 2561565
1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 103158943
1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 5000223
1-(2-butan-2-ylphenoxy)-3-(2-cyclohexylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960184
cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium
CID 7473347
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-[(2R)-butan-2-yl]phenoxy]propan-2-ol
CID 30687421
(2S)-1-(4-benzylpiperazin-1-yl)-3-[2-[(2S)-butan-2-yl]phenoxy]propan-2-ol
CID 30687450

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium?
The IUPAC name of [(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium (CID 7187890) is [(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium.
What is the SMILES notation for [(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium?
The canonical SMILES for [(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium is CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH2+]C1CCCC1.
What is the InChIKey of [(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium?
The InChIKey is SEMVAIPUVQLEHH-GDBMZVCRSA-O. The full InChI is InChI=1S/C18H29NO2/c1-3-14(2)17-10-6-7-11-18(17)21-13-16(20)12-19-15-8-4-5-9-15/h6-7,10-11,14-16,19-20H,3-5,8-9,12-13H2,1-2H3/p+1/t14-,16-/m1/s1.
What are the key properties of [(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium?
[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium has a molecular weight of 292.44 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium is sourced from PubChem (CID 7187890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).