benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium

C23H34N3+3 — CID 158819459

IUPACbenzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium
SMILESC[C@@H]([NH3+])c1ccccc1.C[C@H]([NH3+])c1ccccc1.[NH3+]Cc1ccccc1
InChIInChI=1S/2C8H11N.C7H9N/c2*1-7(9)8-5-3-2-4-6-8;8-6-7-4-2-1-3-5-7/h2*2-7H,9H2,1H3;1-5H,6,8H2/p+3/t2*7-;/m10./s1
InChIKeyIVRKECWUANPQPS-BGEHQDIKSA-Q
MW352.55 g/mol
LogP2.41
Rot. Bonds3

About benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium

benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium (PubChem CID 158819459) has the molecular formula C23H34N3+3 and a molecular weight of 352.55 g/mol. Its IUPAC name is benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Namebenzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium
PubChem CID158819459
Molecular FormulaC23H34N3+3
Molecular Weight352.55 g/mol
Exact Mass352.27
IUPAC Namebenzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium
SMILESC[C@@H]([NH3+])c1ccccc1.C[C@H]([NH3+])c1ccccc1.[NH3+]Cc1ccccc1
InChIInChI=1S/2C8H11N.C7H9N/c2*1-7(9)8-5-3-2-4-6-8;8-6-7-4-2-1-3-5-7/h2*2-7H,9H2,1H3;1-5H,6,8H2/p+3/t2*7-;/m10./s1
InChIKeyIVRKECWUANPQPS-BGEHQDIKSA-Q
XLogP2.41
TPSA82.92 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Related Compounds

[(1S)-1-phenylethyl]azanium
CID 7855572
benzylazanium;(2R)-2-phenylpropanoate
CID 139061083
benzylazanium;ethene;chloride
CID 161138750
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
benzylazanium;dioxotitanium;chloride
CID 174858414
2-(3-chlorophenyl)acetate;[(1S)-1-phenylethyl]azanium
CID 139147195
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
cumene;ethane
CID 54306132
ethane;1-phenylethylbenzene
CID 164998811
ethane;2-methylpropylbenzene
CID 162200929
[(1R)-3-methyl-1-phenylbutyl]azanium
CID 2496574

Frequently Asked Questions

What is the IUPAC name of benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium?
The IUPAC name of benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium (CID 158819459) is benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium.
What is the SMILES notation for benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium?
The canonical SMILES for benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium is C[C@@H]([NH3+])c1ccccc1.C[C@H]([NH3+])c1ccccc1.[NH3+]Cc1ccccc1.
What is the InChIKey of benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium?
The InChIKey is IVRKECWUANPQPS-BGEHQDIKSA-Q. The full InChI is InChI=1S/2C8H11N.C7H9N/c2*1-7(9)8-5-3-2-4-6-8;8-6-7-4-2-1-3-5-7/h2*2-7H,9H2,1H3;1-5H,6,8H2/p+3/t2*7-;/m10./s1.
What are the key properties of benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium?
benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium has a molecular weight of 352.55 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 158819459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).