1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride

C9H13Cl2NO — CID 17331820

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(Cl)ccc1OC.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-11-6-7-5-8(10)3-4-9(7)12-2;/h3-5,11H,6H2,1-2H3;1H
InChIKeyJXLTUVQBRHQYQY-UHFFFAOYSA-N
MW222.11 g/mol
LogP2.49
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride

1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride (PubChem CID 17331820) has the molecular formula C9H13Cl2NO and a molecular weight of 222.11 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride
PubChem CID17331820
Molecular FormulaC9H13Cl2NO
Molecular Weight222.11 g/mol
Exact Mass221.04
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(Cl)ccc1OC.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-11-6-7-5-8(10)3-4-9(7)12-2;/h3-5,11H,6H2,1-2H3;1H
InChIKeyJXLTUVQBRHQYQY-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride (CID 17331820) is 1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride is CNCc1cc(Cl)ccc1OC.Cl.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride?
The InChIKey is JXLTUVQBRHQYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c1-11-6-7-5-8(10)3-4-9(7)12-2;/h3-5,11H,6H2,1-2H3;1H.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride?
1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride has a molecular weight of 222.11 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 17331820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).