[4-(4-methylphenoxy)phenyl]azanium

C13H14NO+ — CID 142074955

IUPAC[4-(4-methylphenoxy)phenyl]azanium
SMILESCc1ccc(Oc2ccc([NH3+])cc2)cc1
InChIInChI=1S/C13H13NO/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3/p+1
InChIKeyVPCGOYHSWIYEMO-UHFFFAOYSA-O
MW200.26 g/mol
LogP2.66
Rot. Bonds2

About [4-(4-methylphenoxy)phenyl]azanium

[4-(4-methylphenoxy)phenyl]azanium (PubChem CID 142074955) has the molecular formula C13H14NO+ and a molecular weight of 200.26 g/mol. Its IUPAC name is [4-(4-methylphenoxy)phenyl]azanium.

Molecular Properties

Compound Name[4-(4-methylphenoxy)phenyl]azanium
PubChem CID142074955
Molecular FormulaC13H14NO+
Molecular Weight200.26 g/mol
Exact Mass200.11
IUPAC Name[4-(4-methylphenoxy)phenyl]azanium
SMILESCc1ccc(Oc2ccc([NH3+])cc2)cc1
InChIInChI=1S/C13H13NO/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3/p+1
InChIKeyVPCGOYHSWIYEMO-UHFFFAOYSA-O
XLogP2.66
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
CID 101414938
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251
methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
CID 157430055
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459
1-methyl-4-(4-prop-1-en-2-ylphenoxy)benzene
CID 147989654
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenoxy)phenyl]azanium?
The IUPAC name of [4-(4-methylphenoxy)phenyl]azanium (CID 142074955) is [4-(4-methylphenoxy)phenyl]azanium.
What is the SMILES notation for [4-(4-methylphenoxy)phenyl]azanium?
The canonical SMILES for [4-(4-methylphenoxy)phenyl]azanium is Cc1ccc(Oc2ccc([NH3+])cc2)cc1.
What is the InChIKey of [4-(4-methylphenoxy)phenyl]azanium?
The InChIKey is VPCGOYHSWIYEMO-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13NO/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3/p+1.
What are the key properties of [4-(4-methylphenoxy)phenyl]azanium?
[4-(4-methylphenoxy)phenyl]azanium has a molecular weight of 200.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)phenyl]azanium is sourced from PubChem (CID 142074955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).