3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride

C13H22ClNO4 — CID 170874761

IUPAC3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCCOc1c(OC)cc(C(N)CCO)cc1OC.Cl
InChIInChI=1S/C13H21NO4.ClH/c1-4-18-13-11(16-2)7-9(8-12(13)17-3)10(14)5-6-15;/h7-8,10,15H,4-6,14H2,1-3H3;1H
InChIKeyTYMDSOWNKPGUSI-UHFFFAOYSA-N
MW291.78 g/mol
LogP1.91
Rot. Bonds7

About 3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride

3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 170874761) has the molecular formula C13H22ClNO4 and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
PubChem CID170874761
Molecular FormulaC13H22ClNO4
Molecular Weight291.78 g/mol
Exact Mass291.12
IUPAC Name3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCCOc1c(OC)cc(C(N)CCO)cc1OC.Cl
InChIInChI=1S/C13H21NO4.ClH/c1-4-18-13-11(16-2)7-9(8-12(13)17-3)10(14)5-6-15;/h7-8,10,15H,4-6,14H2,1-3H3;1H
InChIKeyTYMDSOWNKPGUSI-UHFFFAOYSA-N
XLogP1.91
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
(3S)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171221844
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol
CID 84785101
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199826
4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol
CID 171226166
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
(4R)-4-amino-4-(4-bromo-3,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171202296
4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol
CID 66091719

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride (CID 170874761) is 3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride is CCOc1c(OC)cc(C(N)CCO)cc1OC.Cl.
What is the InChIKey of 3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is TYMDSOWNKPGUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4.ClH/c1-4-18-13-11(16-2)7-9(8-12(13)17-3)10(14)5-6-15;/h7-8,10,15H,4-6,14H2,1-3H3;1H.
What are the key properties of 3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride?
3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170874761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).