2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol

C11H15NO2 — CID 117283636

IUPAC2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol
SMILESCCOc1cccc(O)c1/C=C/CN
InChIInChI=1S/C11H15NO2/c1-2-14-11-7-3-6-10(13)9(11)5-4-8-12/h3-7,13H,2,8,12H2,1H3/b5-4+
InChIKeyBUHDMFUHJAZAHN-SNAWJCMRSA-N
MW193.25 g/mol
LogP1.76
Rot. Bonds4

About 2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol

2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol (PubChem CID 117283636) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol.

Molecular Properties

Compound Name2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol
PubChem CID117283636
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol
SMILESCCOc1cccc(O)c1/C=C/CN
InChIInChI=1S/C11H15NO2/c1-2-14-11-7-3-6-10(13)9(11)5-4-8-12/h3-7,13H,2,8,12H2,1H3/b5-4+
InChIKeyBUHDMFUHJAZAHN-SNAWJCMRSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminoprop-1-enyl)-3-bromophenol
CID 169464695
5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol
CID 117319602
2-(2-amino-1-hydroxyethyl)-3-ethoxyphenol
CID 18627913
2-ethoxy-6-methylphenol
CID 14911944
ethyl (E)-4-(2-formyl-3-hydroxyphenoxy)but-2-enoate
CID 135012224
(E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine
CID 82284249
(E)-3-[2-(1,1-difluoroethyl)-6-methoxyphenyl]prop-2-en-1-amine
CID 117326640
(E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine
CID 117295921
4-(2-ethoxyphenyl)but-3-en-1-amine
CID 76997332
2-ethenyl-1-ethoxy-3-(2-ethoxyphenyl)benzene
CID 69455028
3-ethoxy-2-propoxyphenol
CID 174814735
2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol
CID 117283641

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol?
The IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol (CID 117283636) is 2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol.
What is the SMILES notation for 2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol?
The canonical SMILES for 2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol is CCOc1cccc(O)c1/C=C/CN.
What is the InChIKey of 2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol?
The InChIKey is BUHDMFUHJAZAHN-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-11-7-3-6-10(13)9(11)5-4-8-12/h3-7,13H,2,8,12H2,1H3/b5-4+.
What are the key properties of 2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol?
2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol has a molecular weight of 193.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol is sourced from PubChem (CID 117283636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).