[(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium

C15H23ClNO2+ — CID 6945380

IUPAC[(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESC[C@@H](C[NH2+]C[C@H]1CCCO1)COc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2/c1-12(9-17-10-15-3-2-8-18-15)11-19-14-6-4-13(16)5-7-14/h4-7,12,15,17H,2-3,8-11H2,1H3/p+1/t12-,15+/m0/s1
InChIKeyRVHYXQDPSBHFRM-SWLSCSKDSA-O
MW284.81 g/mol
LogP2.10
Rot. Bonds7

About [(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium

[(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 6945380) has the molecular formula C15H23ClNO2+ and a molecular weight of 284.81 g/mol. Its IUPAC name is [(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID6945380
Molecular FormulaC15H23ClNO2+
Molecular Weight284.81 g/mol
Exact Mass284.14
IUPAC Name[(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESC[C@@H](C[NH2+]C[C@H]1CCCO1)COc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2/c1-12(9-17-10-15-3-2-8-18-15)11-19-14-6-4-13(16)5-7-14/h4-7,12,15,17H,2-3,8-11H2,1H3/p+1/t12-,15+/m0/s1
InChIKeyRVHYXQDPSBHFRM-SWLSCSKDSA-O
XLogP2.10
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium with MolForge

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Related Compounds

[(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7127778
4-(4-chlorophenoxy)but-2-ynyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7379066
[(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7196503
2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733141
(2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 98628192
2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine
CID 107139197
N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 42387343
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
1-(4-chlorophenoxy)-3-[(2,4-dimethylphenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol
CID 42682313
2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 95973535
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154
[(2S)-oxolan-2-yl]methyl-propan-2-ylazanium
CID 7015881

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium (CID 6945380) is [(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium is C[C@@H](C[NH2+]C[C@H]1CCCO1)COc1ccc(Cl)cc1.
What is the InChIKey of [(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is RVHYXQDPSBHFRM-SWLSCSKDSA-O. The full InChI is InChI=1S/C15H22ClNO2/c1-12(9-17-10-15-3-2-8-18-15)11-19-14-6-4-13(16)5-7-14/h4-7,12,15,17H,2-3,8-11H2,1H3/p+1/t12-,15+/m0/s1.
What are the key properties of [(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
[(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 284.81 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 6945380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).