furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium

C21H30NO2+ — CID 6995808

IUPACfuran-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium
SMILESCC(C)[C@H]1C[C@](CC[NH2+]Cc2ccco2)(c2ccccc2)CCO1
InChIInChI=1S/C21H29NO2/c1-17(2)20-15-21(11-14-24-20,18-7-4-3-5-8-18)10-12-22-16-19-9-6-13-23-19/h3-9,13,17,20,22H,10-12,14-16H2,1-2H3/p+1/t20-,21-/m1/s1
InChIKeyUMCUDUUEJCLEGK-NHCUHLMSSA-O
MW328.48 g/mol
LogP3.51
Rot. Bonds7

About furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium

furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium (PubChem CID 6995808) has the molecular formula C21H30NO2+ and a molecular weight of 328.48 g/mol. Its IUPAC name is furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium
PubChem CID6995808
Molecular FormulaC21H30NO2+
Molecular Weight328.48 g/mol
Exact Mass328.23
IUPAC Namefuran-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium
SMILESCC(C)[C@H]1C[C@](CC[NH2+]Cc2ccco2)(c2ccccc2)CCO1
InChIInChI=1S/C21H29NO2/c1-17(2)20-15-21(11-14-24-20,18-7-4-3-5-8-18)10-12-22-16-19-9-6-13-23-19/h3-9,13,17,20,22H,10-12,14-16H2,1-2H3/p+1/t20-,21-/m1/s1
InChIKeyUMCUDUUEJCLEGK-NHCUHLMSSA-O
XLogP3.51
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(dimethylamino)phenyl]methyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7069519
2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium
CID 7350813
1-[2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]piperidin-1-ium
CID 6981772
N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 7082816
2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]acetamide
CID 928210
N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine
CID 125433258
(3,4-dimethoxyphenyl)methyl-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7639709
(3,4-dimethoxyphenyl)methyl-[2-[(2S,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7639707
benzyl-[2-[(2S,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7091186
N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine
CID 7122733
2-[(2R,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7464224
2-[(2S,4S)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(furan-2-ylmethyl)ethanamine
CID 40917194

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium?
The IUPAC name of furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium (CID 6995808) is furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium.
What is the SMILES notation for furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium?
The canonical SMILES for furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium is CC(C)[C@H]1C[C@](CC[NH2+]Cc2ccco2)(c2ccccc2)CCO1.
What is the InChIKey of furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium?
The InChIKey is UMCUDUUEJCLEGK-NHCUHLMSSA-O. The full InChI is InChI=1S/C21H29NO2/c1-17(2)20-15-21(11-14-24-20,18-7-4-3-5-8-18)10-12-22-16-19-9-6-13-23-19/h3-9,13,17,20,22H,10-12,14-16H2,1-2H3/p+1/t20-,21-/m1/s1.
What are the key properties of furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium?
furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium has a molecular weight of 328.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium is sourced from PubChem (CID 6995808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).