2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium

C18H24NO3+ — CID 7055375

IUPAC2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium
SMILESCOC(C[NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1)OC
InChIInChI=1S/C18H23NO3/c1-21-16(22-2)13-19-17(14-9-5-3-6-10-14)18(20)15-11-7-4-8-12-15/h3-12,16-20H,13H2,1-2H3/p+1/t17-,18-/m0/s1
InChIKeyQUBDABGAJOMQTH-ROUUACIJSA-O
MW302.39 g/mol
LogP1.64
Rot. Bonds8

About 2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium

2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium (PubChem CID 7055375) has the molecular formula C18H24NO3+ and a molecular weight of 302.39 g/mol. Its IUPAC name is 2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium.

Molecular Properties

Compound Name2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium
PubChem CID7055375
Molecular FormulaC18H24NO3+
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium
SMILESCOC(C[NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1)OC
InChIInChI=1S/C18H23NO3/c1-21-16(22-2)13-19-17(14-9-5-3-6-10-14)18(20)15-11-7-4-8-12-15/h3-12,16-20H,13H2,1-2H3/p+1/t17-,18-/m0/s1
InChIKeyQUBDABGAJOMQTH-ROUUACIJSA-O
XLogP1.64
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
(1R,2S)-2-[2,2-dimethoxyethyl(methyl)amino]-1-phenylpropan-1-ol
CID 102421960
1,2-diphenylethane-1,2-diol
CID 159073808
(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol
CID 134931219
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium
CID 2102131
benzene;2-phenylethane-1,1,2-triol
CID 174439943
(2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol
CID 24741569

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium?
The IUPAC name of 2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium (CID 7055375) is 2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium.
What is the SMILES notation for 2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium?
The canonical SMILES for 2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium is COC(C[NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1)OC.
What is the InChIKey of 2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium?
The InChIKey is QUBDABGAJOMQTH-ROUUACIJSA-O. The full InChI is InChI=1S/C18H23NO3/c1-21-16(22-2)13-19-17(14-9-5-3-6-10-14)18(20)15-11-7-4-8-12-15/h3-12,16-20H,13H2,1-2H3/p+1/t17-,18-/m0/s1.
What are the key properties of 2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium?
2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium has a molecular weight of 302.39 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanium is sourced from PubChem (CID 7055375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).