(4-methoxyphenyl)methyl-propylazanium

C11H18NO+ — CID 7959873

IUPAC(4-methoxyphenyl)methyl-propylazanium
SMILESCCC[NH2+]Cc1ccc(OC)cc1
InChIInChI=1S/C11H17NO/c1-3-8-12-9-10-4-6-11(13-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3/p+1
InChIKeyNCOFJPJEQIGDEV-UHFFFAOYSA-O
MW180.27 g/mol
LogP1.17
Rot. Bonds5

About (4-methoxyphenyl)methyl-propylazanium

(4-methoxyphenyl)methyl-propylazanium (PubChem CID 7959873) has the molecular formula C11H18NO+ and a molecular weight of 180.27 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-propylazanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-propylazanium
PubChem CID7959873
Molecular FormulaC11H18NO+
Molecular Weight180.27 g/mol
Exact Mass180.14
IUPAC Name(4-methoxyphenyl)methyl-propylazanium
SMILESCCC[NH2+]Cc1ccc(OC)cc1
InChIInChI=1S/C11H17NO/c1-3-8-12-9-10-4-6-11(13-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3/p+1
InChIKeyNCOFJPJEQIGDEV-UHFFFAOYSA-O
XLogP1.17
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504597
[4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium
CID 8898263
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190
(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 8636099
ethane;1-methoxy-4-propylbenzene
CID 142085762
[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium
CID 7714694
(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8636164
(2-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504596
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
(3-cyclohexyl-3-oxopropyl)-[(4-methoxyphenyl)methyl]azanium chloride
CID 110184835
[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium
CID 7036971

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-propylazanium?
The IUPAC name of (4-methoxyphenyl)methyl-propylazanium (CID 7959873) is (4-methoxyphenyl)methyl-propylazanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-propylazanium?
The canonical SMILES for (4-methoxyphenyl)methyl-propylazanium is CCC[NH2+]Cc1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-propylazanium?
The InChIKey is NCOFJPJEQIGDEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17NO/c1-3-8-12-9-10-4-6-11(13-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3/p+1.
What are the key properties of (4-methoxyphenyl)methyl-propylazanium?
(4-methoxyphenyl)methyl-propylazanium has a molecular weight of 180.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-propylazanium is sourced from PubChem (CID 7959873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).