4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol

C11H15NO — CID 130612517

IUPAC4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol
SMILESC=C[C@@H](N)c1cc(C)c(O)cc1C
InChIInChI=1S/C11H15NO/c1-4-10(12)9-5-8(3)11(13)6-7(9)2/h4-6,10,13H,1,12H2,2-3H3/t10-/m1/s1
InChIKeyCXYUWAMKWAVLFX-SNVBAGLBSA-N
MW177.25 g/mol
LogP2.19
Rot. Bonds2

About 4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol

4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol (PubChem CID 130612517) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol
PubChem CID130612517
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol
SMILESC=C[C@@H](N)c1cc(C)c(O)cc1C
InChIInChI=1S/C11H15NO/c1-4-10(12)9-5-8(3)11(13)6-7(9)2/h4-6,10,13H,1,12H2,2-3H3/t10-/m1/s1
InChIKeyCXYUWAMKWAVLFX-SNVBAGLBSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(1S,2S)-1-amino-2-hydroxypropyl]-2,5-dimethylphenol
CID 130606708
4-(1-aminoprop-2-enyl)-3-methylaniline
CID 55283470
1-(6-methyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 83636881
4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol
CID 131128288
3-[(1R)-1-aminoprop-2-enyl]-4-methylbenzoic acid
CID 55274508
2-[(1R)-1-aminoprop-2-enyl]phenol
CID 55278919
(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171203845
(1S)-1-(4-chloro-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171231441
4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol
CID 22571327
2-(1-aminoprop-2-enyl)-4,6-dimethylaniline
CID 55282340
4-(1-aminoprop-2-enyl)-3-methylbenzonitrile
CID 130002637
2-[(1S)-1-aminoprop-2-enyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171253734

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol?
The IUPAC name of 4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol (CID 130612517) is 4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol.
What is the SMILES notation for 4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol?
The canonical SMILES for 4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol is C=C[C@@H](N)c1cc(C)c(O)cc1C.
What is the InChIKey of 4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol?
The InChIKey is CXYUWAMKWAVLFX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-10(12)9-5-8(3)11(13)6-7(9)2/h4-6,10,13H,1,12H2,2-3H3/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol?
4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol has a molecular weight of 177.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol is sourced from PubChem (CID 130612517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).