4-methoxy-2-methylaniline;hydrochloride

C8H12ClNO — CID 22408455

IUPAC4-methoxy-2-methylaniline;hydrochloride
SMILESCOc1ccc(N)c(C)c1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-6-5-7(10-2)3-4-8(6)9;/h3-5H,9H2,1-2H3;1H
InChIKeyYTMCAZORUSVXCW-UHFFFAOYSA-N
MW173.64 g/mol
LogP2.01
Rot. Bonds1

About 4-methoxy-2-methylaniline;hydrochloride

4-methoxy-2-methylaniline;hydrochloride (PubChem CID 22408455) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 4-methoxy-2-methylaniline;hydrochloride.

Molecular Properties

Compound Name4-methoxy-2-methylaniline;hydrochloride
PubChem CID22408455
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name4-methoxy-2-methylaniline;hydrochloride
SMILESCOc1ccc(N)c(C)c1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-6-5-7(10-2)3-4-8(6)9;/h3-5H,9H2,1-2H3;1H
InChIKeyYTMCAZORUSVXCW-UHFFFAOYSA-N
XLogP2.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylaniline;hydrochloride?
The IUPAC name of 4-methoxy-2-methylaniline;hydrochloride (CID 22408455) is 4-methoxy-2-methylaniline;hydrochloride.
What is the SMILES notation for 4-methoxy-2-methylaniline;hydrochloride?
The canonical SMILES for 4-methoxy-2-methylaniline;hydrochloride is COc1ccc(N)c(C)c1.Cl.
What is the InChIKey of 4-methoxy-2-methylaniline;hydrochloride?
The InChIKey is YTMCAZORUSVXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.ClH/c1-6-5-7(10-2)3-4-8(6)9;/h3-5H,9H2,1-2H3;1H.
What are the key properties of 4-methoxy-2-methylaniline;hydrochloride?
4-methoxy-2-methylaniline;hydrochloride has a molecular weight of 173.64 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylaniline;hydrochloride is sourced from PubChem (CID 22408455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).