[(1S)-1-phenylethyl]azanium

C8H12N+ — CID 7855572

IUPAC[(1S)-1-phenylethyl]azanium
SMILESC[C@H]([NH3+])c1ccccc1
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/p+1/t7-/m0/s1
InChIKeyRQEUFEKYXDPUSK-ZETCQYMHSA-O
MW122.19 g/mol
LogP0.99
Rot. Bonds1

About [(1S)-1-phenylethyl]azanium

[(1S)-1-phenylethyl]azanium (PubChem CID 7855572) has the molecular formula C8H12N+ and a molecular weight of 122.19 g/mol. Its IUPAC name is [(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-phenylethyl]azanium
PubChem CID7855572
Molecular FormulaC8H12N+
Molecular Weight122.19 g/mol
Exact Mass122.10
IUPAC Name[(1S)-1-phenylethyl]azanium
SMILESC[C@H]([NH3+])c1ccccc1
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/p+1/t7-/m0/s1
InChIKeyRQEUFEKYXDPUSK-ZETCQYMHSA-O
XLogP0.99
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium
CID 158819459
ethane;1-phenylethylbenzene
CID 164998811
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
cumene;ethane
CID 54306132
CID 160506105
CID 160506105
cumene;ethane;bis(2-methylpropane)
CID 161044029
ethane;methane;1-phenylethylbenzene
CID 143105414
cumene
CID 161227923
1-phenylethylbenzene
CID 142851428
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 11918
propan-2-ylcyclodecapentaene
CID 123508933

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylethyl]azanium?
The IUPAC name of [(1S)-1-phenylethyl]azanium (CID 7855572) is [(1S)-1-phenylethyl]azanium.
What is the SMILES notation for [(1S)-1-phenylethyl]azanium?
The canonical SMILES for [(1S)-1-phenylethyl]azanium is C[C@H]([NH3+])c1ccccc1.
What is the InChIKey of [(1S)-1-phenylethyl]azanium?
The InChIKey is RQEUFEKYXDPUSK-ZETCQYMHSA-O. The full InChI is InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/p+1/t7-/m0/s1.
What are the key properties of [(1S)-1-phenylethyl]azanium?
[(1S)-1-phenylethyl]azanium has a molecular weight of 122.19 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 7855572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).