(1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride

C10H16ClNO2 — CID 171201079

IUPAC(1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc([C@@H](C)N)c(OC)c1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-7(11)9-5-4-8(12-2)6-10(9)13-3;/h4-7H,11H2,1-3H3;1H/t7-;/m1./s1
InChIKeyZOVWPPMHEROFHU-OGFXRTJISA-N
MW217.70 g/mol
LogP2.15
Rot. Bonds3

About (1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride

(1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride (PubChem CID 171201079) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is (1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride
PubChem CID171201079
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name(1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc([C@@H](C)N)c(OC)c1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-7(11)9-5-4-8(12-2)6-10(9)13-3;/h4-7H,11H2,1-3H3;1H/t7-;/m1./s1
InChIKeyZOVWPPMHEROFHU-OGFXRTJISA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride (CID 171201079) is (1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride is COc1ccc([C@@H](C)N)c(OC)c1.Cl.
What is the InChIKey of (1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is ZOVWPPMHEROFHU-OGFXRTJISA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-7(11)9-5-4-8(12-2)6-10(9)13-3;/h4-7H,11H2,1-3H3;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride?
(1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dimethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171201079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).