5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol

C12H17NO3 — CID 117319602

IUPAC5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol
SMILESCCOc1cc(/C=C/CN)cc(O)c1OC
InChIInChI=1S/C12H17NO3/c1-3-16-11-8-9(5-4-6-13)7-10(14)12(11)15-2/h4-5,7-8,14H,3,6,13H2,1-2H3/b5-4+
InChIKeySRJPWTRRUUYGAS-SNAWJCMRSA-N
MW223.27 g/mol
LogP1.77
Rot. Bonds5

About 5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol

5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol (PubChem CID 117319602) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol.

Molecular Properties

Compound Name5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol
PubChem CID117319602
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol
SMILESCCOc1cc(/C=C/CN)cc(O)c1OC
InChIInChI=1S/C12H17NO3/c1-3-16-11-8-9(5-4-6-13)7-10(14)12(11)15-2/h4-5,7-8,14H,3,6,13H2,1-2H3/b5-4+
InChIKeySRJPWTRRUUYGAS-SNAWJCMRSA-N
XLogP1.77
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol
CID 79334314
4-(3-chloro-5-ethoxy-4-methoxyphenyl)but-3-en-1-amine
CID 76996980
2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 101382375
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
CID 117283631
(E)-3-[3-(difluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117359380
5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol
CID 117323946
4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol
CID 169464704
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
(E)-3-[3-(fluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117323427
2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol
CID 117283636

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol?
The IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol (CID 117319602) is 5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol.
What is the SMILES notation for 5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol?
The canonical SMILES for 5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol is CCOc1cc(/C=C/CN)cc(O)c1OC.
What is the InChIKey of 5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol?
The InChIKey is SRJPWTRRUUYGAS-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-16-11-8-9(5-4-6-13)7-10(14)12(11)15-2/h4-5,7-8,14H,3,6,13H2,1-2H3/b5-4+.
What are the key properties of 5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol?
5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol has a molecular weight of 223.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol is sourced from PubChem (CID 117319602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).