[(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium

C11H16NO+ — CID 7557024

IUPAC[(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc([C@@H]([NH3+])C2CC2)cc1
InChIInChI=1S/C11H15NO/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11H,2-3,12H2,1H3/p+1/t11-/m0/s1
InChIKeyIVVASFZJFLBRPG-NSHDSACASA-O
MW178.25 g/mol
LogP1.39
Rot. Bonds3

About [(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium

[(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium (PubChem CID 7557024) has the molecular formula C11H16NO+ and a molecular weight of 178.25 g/mol. Its IUPAC name is [(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium
PubChem CID7557024
Molecular FormulaC11H16NO+
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name[(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc([C@@H]([NH3+])C2CC2)cc1
InChIInChI=1S/C11H15NO/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11H,2-3,12H2,1H3/p+1/t11-/m0/s1
InChIKeyIVVASFZJFLBRPG-NSHDSACASA-O
XLogP1.39
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[chloro(cyclopropyl)methyl]-4-methoxybenzene
CID 61081177
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine
CID 116952347
1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 55016241
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
(4-ethylcyclohexyl)-(4-methoxyphenyl)methanol
CID 64749359
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696

Frequently Asked Questions

What is the IUPAC name of [(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium?
The IUPAC name of [(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium (CID 7557024) is [(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for [(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for [(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium is COc1ccc([C@@H]([NH3+])C2CC2)cc1.
What is the InChIKey of [(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium?
The InChIKey is IVVASFZJFLBRPG-NSHDSACASA-O. The full InChI is InChI=1S/C11H15NO/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11H,2-3,12H2,1H3/p+1/t11-/m0/s1.
What are the key properties of [(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium?
[(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium has a molecular weight of 178.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-cyclopropyl-(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 7557024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).