(3-methoxy-4-methylphenyl)azanium

C8H12NO+ — CID 148795563

IUPAC(3-methoxy-4-methylphenyl)azanium
SMILESCOc1cc([NH3+])ccc1C
InChIInChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3/p+1
InChIKeyONADZNBSLRAJFW-UHFFFAOYSA-O
MW138.19 g/mol
LogP0.88
Rot. Bonds1

About (3-methoxy-4-methylphenyl)azanium

(3-methoxy-4-methylphenyl)azanium (PubChem CID 148795563) has the molecular formula C8H12NO+ and a molecular weight of 138.19 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)azanium.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)azanium
PubChem CID148795563
Molecular FormulaC8H12NO+
Molecular Weight138.19 g/mol
Exact Mass138.09
IUPAC Name(3-methoxy-4-methylphenyl)azanium
SMILESCOc1cc([NH3+])ccc1C
InChIInChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3/p+1
InChIKeyONADZNBSLRAJFW-UHFFFAOYSA-O
XLogP0.88
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
ethane;methane;3-methoxy-4-methylaniline
CID 144516222
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
4-isocyano-2-methoxy-1-methylbenzene
CID 58757440
(3-methoxy-4-methylphenyl)-oxoazanium
CID 143003126
4-(4-fluorophenyl)-2-methoxy-1-methylbenzene
CID 46313029
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
2-methoxy-6-(3-methoxy-4-methylphenyl)naphthalene
CID 57012474
ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
CID 145081687

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)azanium?
The IUPAC name of (3-methoxy-4-methylphenyl)azanium (CID 148795563) is (3-methoxy-4-methylphenyl)azanium.
What is the SMILES notation for (3-methoxy-4-methylphenyl)azanium?
The canonical SMILES for (3-methoxy-4-methylphenyl)azanium is COc1cc([NH3+])ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)azanium?
The InChIKey is ONADZNBSLRAJFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3/p+1.
What are the key properties of (3-methoxy-4-methylphenyl)azanium?
(3-methoxy-4-methylphenyl)azanium has a molecular weight of 138.19 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)azanium is sourced from PubChem (CID 148795563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).