(E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol

C11H15NO2 — CID 102538266

IUPAC(E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol
SMILESCOc1ccccc1/C=C/C(O)CN
InChIInChI=1S/C11H15NO2/c1-14-11-5-3-2-4-9(11)6-7-10(13)8-12/h2-7,10,13H,8,12H2,1H3/b7-6+
InChIKeyQFLMWKHSGPHCIA-VOTSOKGWSA-N
MW193.25 g/mol
LogP1.03
Rot. Bonds4

About (E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol

(E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol (PubChem CID 102538266) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol
PubChem CID102538266
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol
SMILESCOc1ccccc1/C=C/C(O)CN
InChIInChI=1S/C11H15NO2/c1-14-11-5-3-2-4-9(11)6-7-10(13)8-12/h2-7,10,13H,8,12H2,1H3/b7-6+
InChIKeyQFLMWKHSGPHCIA-VOTSOKGWSA-N
XLogP1.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyphenyl)but-3-en-2-ol
CID 72800651
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CID 11400969
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
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(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
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(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
(E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine
CID 103092844
4-(2-methoxyphenyl)but-3-enamide
CID 170797506
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol
CID 110922625
1-methoxy-2-[(1E,5E)-3,3,4,4-tetradeuterio-6-(2-methoxyphenyl)hexa-1,5-dienyl]benzene
CID 10709219

Frequently Asked Questions

What is the IUPAC name of (E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol?
The IUPAC name of (E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol (CID 102538266) is (E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol.
What is the SMILES notation for (E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol?
The canonical SMILES for (E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol is COc1ccccc1/C=C/C(O)CN.
What is the InChIKey of (E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol?
The InChIKey is QFLMWKHSGPHCIA-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-11-5-3-2-4-9(11)6-7-10(13)8-12/h2-7,10,13H,8,12H2,1H3/b7-6+.
What are the key properties of (E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol?
(E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol has a molecular weight of 193.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol is sourced from PubChem (CID 102538266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).