[(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium

C14H17N2+ — CID 7148326

IUPAC[(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
SMILESC[C@@H]([NH2+]Cc1ccccn1)c1ccccc1
InChIInChI=1S/C14H16N2/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15-14/h2-10,12,16H,11H2,1H3/p+1/t12-/m1/s1
InChIKeyXTKDSQFTLMREPE-GFCCVEGCSA-O
MW213.30 g/mol
LogP1.91
Rot. Bonds4

About [(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium

[(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium (PubChem CID 7148326) has the molecular formula C14H17N2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is [(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
PubChem CID7148326
Molecular FormulaC14H17N2+
Molecular Weight213.30 g/mol
Exact Mass213.14
IUPAC Name[(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
SMILESC[C@@H]([NH2+]Cc1ccccn1)c1ccccc1
InChIInChI=1S/C14H16N2/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15-14/h2-10,12,16H,11H2,1H3/p+1/t12-/m1/s1
InChIKeyXTKDSQFTLMREPE-GFCCVEGCSA-O
XLogP1.91
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7928623
ethane;methyl(pyridin-2-ylmethyl)azanium
CID 91331708
oxido(pyridin-2-ylmethyl)azanium
CID 87207811
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 103614627
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium
CID 2102131
butyl(pyridin-2-ylmethyl)azanium
CID 40508011
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7043455
N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide
CID 3136532
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium?
The IUPAC name of [(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium (CID 7148326) is [(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium.
What is the SMILES notation for [(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium?
The canonical SMILES for [(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium is C[C@@H]([NH2+]Cc1ccccn1)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium?
The InChIKey is XTKDSQFTLMREPE-GFCCVEGCSA-O. The full InChI is InChI=1S/C14H16N2/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15-14/h2-10,12,16H,11H2,1H3/p+1/t12-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium?
[(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium has a molecular weight of 213.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium is sourced from PubChem (CID 7148326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).