[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium

C10H16NO+ — CID 7432380

IUPAC[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
SMILESCOc1ccccc1C[C@@H](C)[NH3+]
InChIInChI=1S/C10H15NO/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8H,7,11H2,1-2H3/p+1/t8-/m1/s1
InChIKeyVBAHFEPKESUPDE-MRVPVSSYSA-O
MW166.24 g/mol
LogP0.87
Rot. Bonds3

About [(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium

[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium (PubChem CID 7432380) has the molecular formula C10H16NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is [(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
PubChem CID7432380
Molecular FormulaC10H16NO+
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
SMILESCOc1ccccc1C[C@@H](C)[NH3+]
InChIInChI=1S/C10H15NO/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8H,7,11H2,1-2H3/p+1/t8-/m1/s1
InChIKeyVBAHFEPKESUPDE-MRVPVSSYSA-O
XLogP0.87
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 6951555
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
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1-(4-bromo-2-methylpentyl)-2-methoxybenzene
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1-(2-methoxyphenyl)-3-methylpentan-2-ol
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1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
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(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium
CID 88786124
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
1-methoxy-2-[(3R)-3-methylpentyl]benzene
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CID 82710985

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium?
The IUPAC name of [(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium (CID 7432380) is [(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium?
The canonical SMILES for [(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium is COc1ccccc1C[C@@H](C)[NH3+].
What is the InChIKey of [(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium?
The InChIKey is VBAHFEPKESUPDE-MRVPVSSYSA-O. The full InChI is InChI=1S/C10H15NO/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8H,7,11H2,1-2H3/p+1/t8-/m1/s1.
What are the key properties of [(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium?
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium has a molecular weight of 166.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium is sourced from PubChem (CID 7432380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).