6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol

C11H15NO — CID 117277547

IUPAC6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol
SMILESCc1ccc(/C=C/CN)c(O)c1C
InChIInChI=1S/C11H15NO/c1-8-5-6-10(4-3-7-12)11(13)9(8)2/h3-6,13H,7,12H2,1-2H3/b4-3+
InChIKeyLBECWKGLZQHONG-ONEGZZNKSA-N
MW177.25 g/mol
LogP1.98
Rot. Bonds2

About 6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol

6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol (PubChem CID 117277547) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol.

Molecular Properties

Compound Name6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol
PubChem CID117277547
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol
SMILESCc1ccc(/C=C/CN)c(O)c1C
InChIInChI=1S/C11H15NO/c1-8-5-6-10(4-3-7-12)11(13)9(8)2/h3-6,13H,7,12H2,1-2H3/b4-3+
InChIKeyLBECWKGLZQHONG-ONEGZZNKSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol
CID 117308373
(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine
CID 117294018
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201
6-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,3-dimethylphenol
CID 10493897
2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol
CID 117278700
2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol
CID 117299504
3-(4-chloro-2-methylphenyl)prop-2-en-1-amine
CID 169463160
2-[(E)-3-aminoprop-1-enyl]-6-bromophenol
CID 117328126
(E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
CID 117352404
2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol
CID 117283641
3-(3-aminoprop-1-enyl)-4-methylbenzoic acid
CID 169463798
(E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine
CID 82282686

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol?
The IUPAC name of 6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol (CID 117277547) is 6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol.
What is the SMILES notation for 6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol?
The canonical SMILES for 6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol is Cc1ccc(/C=C/CN)c(O)c1C.
What is the InChIKey of 6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol?
The InChIKey is LBECWKGLZQHONG-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-5-6-10(4-3-7-12)11(13)9(8)2/h3-6,13H,7,12H2,1-2H3/b4-3+.
What are the key properties of 6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol?
6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol has a molecular weight of 177.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol is sourced from PubChem (CID 117277547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).