[(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium

C21H34NO2+ — CID 7643369

IUPAC[(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESC[C@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]C[C@@H]1CCCO1
InChIInChI=1S/C21H33NO2/c1-17(22-15-19-10-7-12-23-19)14-21(18-8-5-4-6-9-18)11-13-24-20(2,3)16-21/h4-6,8-9,17,19,22H,7,10-16H2,1-3H3/p+1/t17-,19+,21-/m1/s1
InChIKeyRTOVSWPWNYKPES-SLYNCCJLSA-O
MW332.51 g/mol
LogP3.03
Rot. Bonds6

About [(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium

[(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium (PubChem CID 7643369) has the molecular formula C21H34NO2+ and a molecular weight of 332.51 g/mol. Its IUPAC name is [(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium
PubChem CID7643369
Molecular FormulaC21H34NO2+
Molecular Weight332.51 g/mol
Exact Mass332.26
IUPAC Name[(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESC[C@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]C[C@@H]1CCCO1
InChIInChI=1S/C21H33NO2/c1-17(22-15-19-10-7-12-23-19)14-21(18-8-5-4-6-9-18)11-13-24-20(2,3)16-21/h4-6,8-9,17,19,22H,7,10-16H2,1-3H3/p+1/t17-,19+,21-/m1/s1
InChIKeyRTOVSWPWNYKPES-SLYNCCJLSA-O
XLogP3.03
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium with MolForge

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Related Compounds

(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 7643370
[(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium
CID 7645497
2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl-[(1R)-1-(4-methoxyphenyl)ethyl]azanium
CID 6984897
N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 7642436
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-propan-2-ylsulfanylacetamide
CID 126438751
[(2S)-oxolan-2-yl]methyl-propan-2-ylazanium
CID 7015881
(4R)-2,2-dimethyl-4-phenyloxan-4-amine
CID 129406245
1-amino-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]cyclopropane-1-carboxamide
CID 56861115
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline
CID 53387392
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide
CID 126424742
2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 42507169
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]benzenesulfonamide
CID 1076269

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium (CID 7643369) is [(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium is C[C@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]C[C@@H]1CCCO1.
What is the InChIKey of [(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The InChIKey is RTOVSWPWNYKPES-SLYNCCJLSA-O. The full InChI is InChI=1S/C21H33NO2/c1-17(22-15-19-10-7-12-23-19)14-21(18-8-5-4-6-9-18)11-13-24-20(2,3)16-21/h4-6,8-9,17,19,22H,7,10-16H2,1-3H3/p+1/t17-,19+,21-/m1/s1.
What are the key properties of [(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium?
[(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium has a molecular weight of 332.51 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7643369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).