(5-chloro-2-methoxyphenyl)methanamine;hydrochloride

C8H11Cl2NO — CID 24721652

IUPAC(5-chloro-2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc(Cl)cc1CN.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-11-8-3-2-7(9)4-6(8)5-10;/h2-4H,5,10H2,1H3;1H
InChIKeyOPBLMGOXNGWHTM-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.23
Rot. Bonds2

About (5-chloro-2-methoxyphenyl)methanamine;hydrochloride

(5-chloro-2-methoxyphenyl)methanamine;hydrochloride (PubChem CID 24721652) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methanamine;hydrochloride
PubChem CID24721652
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name(5-chloro-2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc(Cl)cc1CN.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-11-8-3-2-7(9)4-6(8)5-10;/h2-4H,5,10H2,1H3;1H
InChIKeyOPBLMGOXNGWHTM-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (5-chloro-2-methoxyphenyl)methanamine;hydrochloride (CID 24721652) is (5-chloro-2-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methanamine;hydrochloride is COc1ccc(Cl)cc1CN.Cl.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is OPBLMGOXNGWHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.ClH/c1-11-8-3-2-7(9)4-6(8)5-10;/h2-4H,5,10H2,1H3;1H.
What are the key properties of (5-chloro-2-methoxyphenyl)methanamine;hydrochloride?
(5-chloro-2-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 24721652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).