2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride

C13H20ClNO3 — CID 170893167

IUPAC2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride
SMILESC=CCc1cc(CC(N)CO)c(O)c(OC)c1.Cl
InChIInChI=1S/C13H19NO3.ClH/c1-3-4-9-5-10(7-11(14)8-15)13(16)12(6-9)17-2;/h3,5-6,11,15-16H,1,4,7-8,14H2,2H3;1H
InChIKeyNDKRBDKZXGWFNR-UHFFFAOYSA-N
MW273.76 g/mol
LogP1.41
Rot. Bonds6

About 2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride

2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride (PubChem CID 170893167) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride
PubChem CID170893167
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride
SMILESC=CCc1cc(CC(N)CO)c(O)c(OC)c1.Cl
InChIInChI=1S/C13H19NO3.ClH/c1-3-4-9-5-10(7-11(14)8-15)13(16)12(6-9)17-2;/h3,5-6,11,15-16H,1,4,7-8,14H2,2H3;1H
InChIKeyNDKRBDKZXGWFNR-UHFFFAOYSA-N
XLogP1.41
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride
CID 170891993
2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
CID 12032541
4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol
CID 170891887
bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc
CID 175804048
propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
CID 142663411
(1R,2S)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol
CID 46834546
2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol
CID 9317037
2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol
CID 25231264
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol
CID 170864806
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
4-[(1S)-1-aminobut-3-enyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171235118

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride?
The IUPAC name of 2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride (CID 170893167) is 2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride.
What is the SMILES notation for 2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride?
The canonical SMILES for 2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride is C=CCc1cc(CC(N)CO)c(O)c(OC)c1.Cl.
What is the InChIKey of 2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride?
The InChIKey is NDKRBDKZXGWFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3.ClH/c1-3-4-9-5-10(7-11(14)8-15)13(16)12(6-9)17-2;/h3,5-6,11,15-16H,1,4,7-8,14H2,2H3;1H.
What are the key properties of 2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride?
2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride is sourced from PubChem (CID 170893167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).