1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol

C12H19NO3 — CID 19358537

IUPAC1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol
SMILESCCOc1cc(C(C)(O)CN)ccc1OC
InChIInChI=1S/C12H19NO3/c1-4-16-11-7-9(12(2,14)8-13)5-6-10(11)15-3/h5-7,14H,4,8,13H2,1-3H3
InChIKeyPYCKFMALHFXXSE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.26
Rot. Bonds5

About 1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol

1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol (PubChem CID 19358537) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol
PubChem CID19358537
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol
SMILESCCOc1cc(C(C)(O)CN)ccc1OC
InChIInChI=1S/C12H19NO3/c1-4-16-11-7-9(12(2,14)8-13)5-6-10(11)15-3/h5-7,14H,4,8,13H2,1-3H3
InChIKeyPYCKFMALHFXXSE-UHFFFAOYSA-N
XLogP1.26
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine
CID 81020856
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
2-(5-tert-butyl-2-methoxyphenoxy)ethanamine
CID 96672636
1-amino-2-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 71778100
2-(3,4-diethoxyphenyl)heptan-2-ol
CID 80557836
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol
CID 113490189
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine
CID 117343498
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol
CID 65337928

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol (CID 19358537) is 1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol is CCOc1cc(C(C)(O)CN)ccc1OC.
What is the InChIKey of 1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol?
The InChIKey is PYCKFMALHFXXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-16-11-7-9(12(2,14)8-13)5-6-10(11)15-3/h5-7,14H,4,8,13H2,1-3H3.
What are the key properties of 1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol?
1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 19358537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).