(2,4-dimethoxyphenyl)methanamine;hydrochloride

C9H14ClNO2 — CID 3084343

IUPAC(2,4-dimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc(CN)c(OC)c1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-11-8-4-3-7(6-10)9(5-8)12-2;/h3-5H,6,10H2,1-2H3;1H
InChIKeyKJOWSAVFSCSBMZ-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.58
Rot. Bonds3

About (2,4-dimethoxyphenyl)methanamine;hydrochloride

(2,4-dimethoxyphenyl)methanamine;hydrochloride (PubChem CID 3084343) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methanamine;hydrochloride
PubChem CID3084343
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name(2,4-dimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc(CN)c(OC)c1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-11-8-4-3-7(6-10)9(5-8)12-2;/h3-5H,6,10H2,1-2H3;1H
InChIKeyKJOWSAVFSCSBMZ-UHFFFAOYSA-N
XLogP1.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (2,4-dimethoxyphenyl)methanamine;hydrochloride (CID 3084343) is (2,4-dimethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2,4-dimethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (2,4-dimethoxyphenyl)methanamine;hydrochloride is COc1ccc(CN)c(OC)c1.Cl.
What is the InChIKey of (2,4-dimethoxyphenyl)methanamine;hydrochloride?
The InChIKey is KJOWSAVFSCSBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c1-11-8-4-3-7(6-10)9(5-8)12-2;/h3-5H,6,10H2,1-2H3;1H.
What are the key properties of (2,4-dimethoxyphenyl)methanamine;hydrochloride?
(2,4-dimethoxyphenyl)methanamine;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 3084343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).