2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride

C12H20ClNO4 — CID 75069436

IUPAC2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1cc(C(O)C(C)N)cc(OC)c1OC.Cl
InChIInChI=1S/C12H19NO4.ClH/c1-7(13)11(14)8-5-9(15-2)12(17-4)10(6-8)16-3;/h5-7,11,14H,13H2,1-4H3;1H
InChIKeyGIJLIZWLJMONRO-UHFFFAOYSA-N
MW277.75 g/mol
LogP1.51
Rot. Bonds5

About 2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride

2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 75069436) has the molecular formula C12H20ClNO4 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
PubChem CID75069436
Molecular FormulaC12H20ClNO4
Molecular Weight277.75 g/mol
Exact Mass277.11
IUPAC Name2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1cc(C(O)C(C)N)cc(OC)c1OC.Cl
InChIInChI=1S/C12H19NO4.ClH/c1-7(13)11(14)8-5-9(15-2)12(17-4)10(6-8)16-3;/h5-7,11,14H,13H2,1-4H3;1H
InChIKeyGIJLIZWLJMONRO-UHFFFAOYSA-N
XLogP1.51
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
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2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 112514738
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CID 171160832
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CID 28701279
(1R,2S)-1-amino-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)butan-2-ol
CID 171160835
2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol
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2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
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(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride (CID 75069436) is 2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride is COc1cc(C(O)C(C)N)cc(OC)c1OC.Cl.
What is the InChIKey of 2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is GIJLIZWLJMONRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4.ClH/c1-7(13)11(14)8-5-9(15-2)12(17-4)10(6-8)16-3;/h5-7,11,14H,13H2,1-4H3;1H.
What are the key properties of 2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride?
2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 277.75 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 75069436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).