4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride

C10H16ClNO3 — CID 171221934

IUPAC4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCOc1cc(O)cc(OC)c1[C@H](C)N.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-6(11)10-8(13-2)4-7(12)5-9(10)14-3;/h4-6,12H,11H2,1-3H3;1H/t6-;/m0./s1
InChIKeyQWZYJGJNHNCFHF-RGMNGODLSA-N
MW233.69 g/mol
LogP1.85
Rot. Bonds3

About 4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride

4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride (PubChem CID 171221934) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride
PubChem CID171221934
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCOc1cc(O)cc(OC)c1[C@H](C)N.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-6(11)10-8(13-2)4-7(12)5-9(10)14-3;/h4-6,12H,11H2,1-3H3;1H/t6-;/m0./s1
InChIKeyQWZYJGJNHNCFHF-RGMNGODLSA-N
XLogP1.85
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-3,5-dimethoxyphenol;hydrochloride
CID 171268752
1-(4-chloro-2,6-dimethoxyphenyl)ethanamine
CID 130139712
4-[(1S)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
CID 171202373
4-[(R)-amino(cyclopropyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202408
4-[(S)-amino(cyclopropyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221960
4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202404
4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202406
4-[(1S)-1-amino-3-methylbut-3-enyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221972
4-[(1S,2R)-1-amino-2-hydroxybutyl]-3,5-dimethoxyphenol
CID 171268735
ethyl (3S)-3-amino-2-fluoro-3-(4-hydroxy-2,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171248752
4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride
CID 171263081
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethoxyphenol
CID 171202401

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride?
The IUPAC name of 4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride (CID 171221934) is 4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride is COc1cc(O)cc(OC)c1[C@H](C)N.Cl.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride?
The InChIKey is QWZYJGJNHNCFHF-RGMNGODLSA-N. The full InChI is InChI=1S/C10H15NO3.ClH/c1-6(11)10-8(13-2)4-7(12)5-9(10)14-3;/h4-6,12H,11H2,1-3H3;1H/t6-;/m0./s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride?
4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 171221934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).