benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium

C23H32NO2+ — CID 6962379

IUPACbenzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium
SMILESCC1(C)C[C@@](c2ccccc2)([C@@H](CO)C[NH2+]Cc2ccccc2)CCO1
InChIInChI=1S/C23H31NO2/c1-22(2)18-23(13-14-26-22,20-11-7-4-8-12-20)21(17-25)16-24-15-19-9-5-3-6-10-19/h3-12,21,24-25H,13-18H2,1-2H3/p+1/t21-,23+/m1/s1
InChIKeyVYAMDNWUSLNDGW-GGAORHGYSA-O
MW354.51 g/mol
LogP2.89
Rot. Bonds7

About benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium

benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium (PubChem CID 6962379) has the molecular formula C23H32NO2+ and a molecular weight of 354.51 g/mol. Its IUPAC name is benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium.

Molecular Properties

Compound Namebenzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium
PubChem CID6962379
Molecular FormulaC23H32NO2+
Molecular Weight354.51 g/mol
Exact Mass354.24
IUPAC Namebenzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium
SMILESCC1(C)C[C@@](c2ccccc2)([C@@H](CO)C[NH2+]Cc2ccccc2)CCO1
InChIInChI=1S/C23H31NO2/c1-22(2)18-23(13-14-26-22,20-11-7-4-8-12-20)21(17-25)16-24-15-19-9-5-3-6-10-19/h3-12,21,24-25H,13-18H2,1-2H3/p+1/t21-,23+/m1/s1
InChIKeyVYAMDNWUSLNDGW-GGAORHGYSA-O
XLogP2.89
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium with MolForge

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Related Compounds

[(2S)-2-[(4S)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]-[(3,4-dimethoxyphenyl)methyl]azanium
CID 7374760
(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-[(4-methoxyphenyl)methylamino]propan-1-ol
CID 7076904
(2S)-2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-3-[(4-methoxyphenyl)methylamino]propan-1-ol
CID 7076902
4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol
CID 1101232
(4R)-2,2-dimethyl-4-phenyloxan-4-amine
CID 129406245
2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium
CID 7076776
benzyl-[2-[(2R,4S)-2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl]azanium
CID 7098380
[(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium
CID 7645497
N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine
CID 42564070
[(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7643369
(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 7643370
benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium
CID 7102245

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium?
The IUPAC name of benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium (CID 6962379) is benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium.
What is the SMILES notation for benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium?
The canonical SMILES for benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium is CC1(C)C[C@@](c2ccccc2)([C@@H](CO)C[NH2+]Cc2ccccc2)CCO1.
What is the InChIKey of benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium?
The InChIKey is VYAMDNWUSLNDGW-GGAORHGYSA-O. The full InChI is InChI=1S/C23H31NO2/c1-22(2)18-23(13-14-26-22,20-11-7-4-8-12-20)21(17-25)16-24-15-19-9-5-3-6-10-19/h3-12,21,24-25H,13-18H2,1-2H3/p+1/t21-,23+/m1/s1.
What are the key properties of benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium?
benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium has a molecular weight of 354.51 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2R)-2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-3-hydroxypropyl]azanium is sourced from PubChem (CID 6962379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).