benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium

C24H34NO2+ — CID 7102245

IUPACbenzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium
SMILESCC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccccc2)(c2ccccc2OC)CCO1
InChIInChI=1S/C24H33NO2/c1-4-23(2)19-24(15-17-27-23,21-12-8-9-13-22(21)26-3)14-16-25-18-20-10-6-5-7-11-20/h5-13,25H,4,14-19H2,1-3H3/p+1/t23-,24-/m0/s1
InChIKeyZDVSWFOKMBUCNJ-ZEQRLZLVSA-O
MW368.54 g/mol
LogP4.07
Rot. Bonds8

About benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium

benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium (PubChem CID 7102245) has the molecular formula C24H34NO2+ and a molecular weight of 368.54 g/mol. Its IUPAC name is benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium.

Molecular Properties

Compound Namebenzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium
PubChem CID7102245
Molecular FormulaC24H34NO2+
Molecular Weight368.54 g/mol
Exact Mass368.26
IUPAC Namebenzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium
SMILESCC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccccc2)(c2ccccc2OC)CCO1
InChIInChI=1S/C24H33NO2/c1-4-23(2)19-24(15-17-27-23,21-12-8-9-13-22(21)26-3)14-16-25-18-20-10-6-5-7-11-20/h5-13,25H,4,14-19H2,1-3H3/p+1/t23-,24-/m0/s1
InChIKeyZDVSWFOKMBUCNJ-ZEQRLZLVSA-O
XLogP4.07
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 54.07
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

2-[(2S,4R)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl-[(4-fluorophenyl)methyl]azanium
CID 7372416
N-benzyl-2-[(2S,4R)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethanamine
CID 7102250
benzyl-[2-[(2R,4S)-2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl]azanium
CID 7098380
2-[(2S,4R)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethyl-[(4-fluorophenyl)methyl]azanium
CID 7375796
2-[(2R,4S)-2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl-[(4-fluorophenyl)methyl]azanium
CID 7098347
2-[(2S,4S)-2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethyl-[(2-hydroxyphenyl)methyl]azanium
CID 7118786
2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium
CID 7076776
1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione
CID 7087291
(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
N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine
CID 15998000
2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane
CID 176659697

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium?
The IUPAC name of benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium (CID 7102245) is benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium.
What is the SMILES notation for benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium?
The canonical SMILES for benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium is CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccccc2)(c2ccccc2OC)CCO1.
What is the InChIKey of benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium?
The InChIKey is ZDVSWFOKMBUCNJ-ZEQRLZLVSA-O. The full InChI is InChI=1S/C24H33NO2/c1-4-23(2)19-24(15-17-27-23,21-12-8-9-13-22(21)26-3)14-16-25-18-20-10-6-5-7-11-20/h5-13,25H,4,14-19H2,1-3H3/p+1/t23-,24-/m0/s1.
What are the key properties of benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium?
benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium has a molecular weight of 368.54 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-[(2S,4S)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl]azanium is sourced from PubChem (CID 7102245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).