(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride

C11H18ClNO2 — CID 171201163

IUPAC(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1c(OC)cccc1OC.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-4-8(12)11-9(13-2)6-5-7-10(11)14-3;/h5-8H,4,12H2,1-3H3;1H/t8-;/m1./s1
InChIKeyHPKQUMLPXYXCRO-DDWIOCJRSA-N
MW231.72 g/mol
LogP2.54
Rot. Bonds4

About (1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride

(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171201163) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is (1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
PubChem CID171201163
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1c(OC)cccc1OC.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-4-8(12)11-9(13-2)6-5-7-10(11)14-3;/h5-8H,4,12H2,1-3H3;1H/t8-;/m1./s1
InChIKeyHPKQUMLPXYXCRO-DDWIOCJRSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
CID 171235918
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
(1S)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171220710
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
(1S)-1-(2,6-dimethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171220704
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine
CID 115803058
(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
CID 171201176

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride (CID 171201163) is (1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride is CC[C@@H](N)c1c(OC)cccc1OC.Cl.
What is the InChIKey of (1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is HPKQUMLPXYXCRO-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-4-8(12)11-9(13-2)6-5-7-10(11)14-3;/h5-8H,4,12H2,1-3H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride?
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171201163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).