(2,5-dichlorophenyl)methoxyazanium

C7H8Cl2NO+ — CID 3797844

IUPAC(2,5-dichlorophenyl)methoxyazanium
SMILES[NH3+]OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C7H8Cl2NO/c8-6-1-2-7(9)5(3-6)4-11-10/h1-3H,4H2,10H3/q+1
InChIKeyNSXXOPSXCJXBDB-UHFFFAOYSA-N
MW193.05 g/mol
LogP1.67
Rot. Bonds2

About (2,5-dichlorophenyl)methoxyazanium

(2,5-dichlorophenyl)methoxyazanium (PubChem CID 3797844) has the molecular formula C7H8Cl2NO+ and a molecular weight of 193.05 g/mol. Its IUPAC name is (2,5-dichlorophenyl)methoxyazanium.

Molecular Properties

Compound Name(2,5-dichlorophenyl)methoxyazanium
PubChem CID3797844
Molecular FormulaC7H8Cl2NO+
Molecular Weight193.05 g/mol
Exact Mass192.00
IUPAC Name(2,5-dichlorophenyl)methoxyazanium
SMILES[NH3+]OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C7H8Cl2NO/c8-6-1-2-7(9)5(3-6)4-11-10/h1-3H,4H2,10H3/q+1
InChIKeyNSXXOPSXCJXBDB-UHFFFAOYSA-N
XLogP1.67
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.05
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
azane;1,4-dichloro-2-(chloromethyl)benzene
CID 174958411
1,4-dichloro-2-(fluoromethyl)benzene
CID 175609206
(2,5-dichlorophenyl)methanethiol
CID 21489083
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
4-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 65317709
4-[(2,5-dichlorophenyl)methyl]phenol
CID 21272497
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 114322743
3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine
CID 83065905

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)methoxyazanium?
The IUPAC name of (2,5-dichlorophenyl)methoxyazanium (CID 3797844) is (2,5-dichlorophenyl)methoxyazanium.
What is the SMILES notation for (2,5-dichlorophenyl)methoxyazanium?
The canonical SMILES for (2,5-dichlorophenyl)methoxyazanium is [NH3+]OCc1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)methoxyazanium?
The InChIKey is NSXXOPSXCJXBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2NO/c8-6-1-2-7(9)5(3-6)4-11-10/h1-3H,4H2,10H3/q+1.
What are the key properties of (2,5-dichlorophenyl)methoxyazanium?
(2,5-dichlorophenyl)methoxyazanium has a molecular weight of 193.05 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)methoxyazanium is sourced from PubChem (CID 3797844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).