[(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium

C21H30NO2+ — CID 7645497

IUPAC[(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium
SMILESC[C@@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]Cc1ccco1
InChIInChI=1S/C21H29NO2/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/h4-10,12,17,22H,11,13-16H2,1-3H3/p+1/t17-,21+/m0/s1
InChIKeyJARGVZLPOWSQTB-LAUBAEHRSA-O
MW328.48 g/mol
LogP3.65
Rot. Bonds6

About [(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium

[(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium (PubChem CID 7645497) has the molecular formula C21H30NO2+ and a molecular weight of 328.48 g/mol. Its IUPAC name is [(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium
PubChem CID7645497
Molecular FormulaC21H30NO2+
Molecular Weight328.48 g/mol
Exact Mass328.23
IUPAC Name[(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium
SMILESC[C@@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]Cc1ccco1
InChIInChI=1S/C21H29NO2/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/h4-10,12,17,22H,11,13-16H2,1-3H3/p+1/t17-,21+/m0/s1
InChIKeyJARGVZLPOWSQTB-LAUBAEHRSA-O
XLogP3.65
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)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
2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl-[(1R)-1-(4-methoxyphenyl)ethyl]azanium
CID 6984897
furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 6995808
N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 7642436
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26346628
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-propan-2-ylsulfanylacetamide
CID 126438751
(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-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 39377991
(1S)-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylethanamine
CID 1341544
2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 42507169

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium?
The IUPAC name of [(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium (CID 7645497) is [(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium.
What is the SMILES notation for [(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium?
The canonical SMILES for [(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium is C[C@@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]Cc1ccco1.
What is the InChIKey of [(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium?
The InChIKey is JARGVZLPOWSQTB-LAUBAEHRSA-O. The full InChI is InChI=1S/C21H29NO2/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/h4-10,12,17,22H,11,13-16H2,1-3H3/p+1/t17-,21+/m0/s1.
What are the key properties of [(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium?
[(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium has a molecular weight of 328.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 7645497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).