4-methoxyaniline;hydrochloride

C7H10ClNO — CID 2734956

IUPAC4-methoxyaniline;hydrochloride
SMILESCOc1ccc(N)cc1.Cl
InChIInChI=1S/C7H9NO.ClH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H
InChIKeyVQYJLACQFYZHCO-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.70
Rot. Bonds1

About 4-methoxyaniline;hydrochloride

4-methoxyaniline;hydrochloride (PubChem CID 2734956) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 4-methoxyaniline;hydrochloride.

Molecular Properties

Compound Name4-methoxyaniline;hydrochloride
PubChem CID2734956
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name4-methoxyaniline;hydrochloride
SMILESCOc1ccc(N)cc1.Cl
InChIInChI=1S/C7H9NO.ClH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H
InChIKeyVQYJLACQFYZHCO-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxyaniline;hydrochloride?
The IUPAC name of 4-methoxyaniline;hydrochloride (CID 2734956) is 4-methoxyaniline;hydrochloride.
What is the SMILES notation for 4-methoxyaniline;hydrochloride?
The canonical SMILES for 4-methoxyaniline;hydrochloride is COc1ccc(N)cc1.Cl.
What is the InChIKey of 4-methoxyaniline;hydrochloride?
The InChIKey is VQYJLACQFYZHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.ClH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H.
What are the key properties of 4-methoxyaniline;hydrochloride?
4-methoxyaniline;hydrochloride has a molecular weight of 159.62 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyaniline;hydrochloride is sourced from PubChem (CID 2734956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).