[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium

C10H16NO+ — CID 7047666

IUPAC[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
SMILESCOc1ccc(C)cc1[C@H](C)[NH3+]
InChIInChI=1S/C10H15NO/c1-7-4-5-10(12-3)9(6-7)8(2)11/h4-6,8H,11H2,1-3H3/p+1/t8-/m0/s1
InChIKeyBIWQIGJYBOPFLL-QMMMGPOBSA-O
MW166.24 g/mol
LogP1.31
Rot. Bonds2

About [(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium

[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium (PubChem CID 7047666) has the molecular formula C10H16NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is [(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
PubChem CID7047666
Molecular FormulaC10H16NO+
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
SMILESCOc1ccc(C)cc1[C@H](C)[NH3+]
InChIInChI=1S/C10H15NO/c1-7-4-5-10(12-3)9(6-7)8(2)11/h4-6,8H,11H2,1-3H3/p+1/t8-/m0/s1
InChIKeyBIWQIGJYBOPFLL-QMMMGPOBSA-O
XLogP1.31
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401
2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene
CID 13450101
2-(1-chloro-3-methylbutan-2-yl)-1-methoxy-4-methylbenzene
CID 82081064
1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61376925
imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane
CID 20737116
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048
2-(1-bromo-2,2-difluoroethyl)-1-methoxy-4-methylbenzene
CID 103514543
3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 81462431
2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene
CID 83933072
[1-(2-methoxy-5-methylphenyl)-2,3-dimethylbutyl]hydrazine
CID 105303561
2-(2-methoxy-5-methylphenyl)pentan-3-one
CID 79308264
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium?
The IUPAC name of [(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium (CID 7047666) is [(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium.
What is the SMILES notation for [(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium?
The canonical SMILES for [(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium is COc1ccc(C)cc1[C@H](C)[NH3+].
What is the InChIKey of [(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium?
The InChIKey is BIWQIGJYBOPFLL-QMMMGPOBSA-O. The full InChI is InChI=1S/C10H15NO/c1-7-4-5-10(12-3)9(6-7)8(2)11/h4-6,8H,11H2,1-3H3/p+1/t8-/m0/s1.
What are the key properties of [(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium?
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium has a molecular weight of 166.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium is sourced from PubChem (CID 7047666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).