2-methoxy-N-methylaniline;hydrochloride

C8H12ClNO — CID 45156409

IUPAC2-methoxy-N-methylaniline;hydrochloride
SMILESCNc1ccccc1OC.Cl
InChIInChI=1S/C8H11NO.ClH/c1-9-7-5-3-4-6-8(7)10-2;/h3-6,9H,1-2H3;1H
InChIKeyTYZPLIHCUGANIV-UHFFFAOYSA-N
MW173.64 g/mol
LogP2.16
Rot. Bonds2

About 2-methoxy-N-methylaniline;hydrochloride

2-methoxy-N-methylaniline;hydrochloride (PubChem CID 45156409) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 2-methoxy-N-methylaniline;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-methylaniline;hydrochloride
PubChem CID45156409
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name2-methoxy-N-methylaniline;hydrochloride
SMILESCNc1ccccc1OC.Cl
InChIInChI=1S/C8H11NO.ClH/c1-9-7-5-3-4-6-8(7)10-2;/h3-6,9H,1-2H3;1H
InChIKeyTYZPLIHCUGANIV-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methylaniline;hydrochloride?
The IUPAC name of 2-methoxy-N-methylaniline;hydrochloride (CID 45156409) is 2-methoxy-N-methylaniline;hydrochloride.
What is the SMILES notation for 2-methoxy-N-methylaniline;hydrochloride?
The canonical SMILES for 2-methoxy-N-methylaniline;hydrochloride is CNc1ccccc1OC.Cl.
What is the InChIKey of 2-methoxy-N-methylaniline;hydrochloride?
The InChIKey is TYZPLIHCUGANIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.ClH/c1-9-7-5-3-4-6-8(7)10-2;/h3-6,9H,1-2H3;1H.
What are the key properties of 2-methoxy-N-methylaniline;hydrochloride?
2-methoxy-N-methylaniline;hydrochloride has a molecular weight of 173.64 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methylaniline;hydrochloride is sourced from PubChem (CID 45156409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).