4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol

C11H15NO — CID 130657351

IUPAC4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol
SMILESC=CCc1cc([C@@H](C)N)ccc1O
InChIInChI=1S/C11H15NO/c1-3-4-10-7-9(8(2)12)5-6-11(10)13/h3,5-8,13H,1,4,12H2,2H3/t8-/m1/s1
InChIKeyAXDTZRJANKFMIA-MRVPVSSYSA-N
MW177.25 g/mol
LogP2.14
Rot. Bonds3

About 4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol

4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol (PubChem CID 130657351) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol
PubChem CID130657351
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol
SMILESC=CCc1cc([C@@H](C)N)ccc1O
InChIInChI=1S/C11H15NO/c1-3-4-10-7-9(8(2)12)5-6-11(10)13/h3,5-8,13H,1,4,12H2,2H3/t8-/m1/s1
InChIKeyAXDTZRJANKFMIA-MRVPVSSYSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.14
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-(1-aminoethyl)-2-prop-2-enylphenol
CID 54848971
4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol
CID 18178007
1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine
CID 54849719
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
(2S)-2-amino-3-(4-hydroxy-3-prop-2-enylphenyl)propanoic acid
CID 70486042
4-(3-methylbutoxy)-2-prop-2-enylphenol
CID 24770421
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
5-(1-aminoethyl)-2-hydroxybenzaldehyde
CID 105432657
2-prop-2-enyl-4-trimethoxysilylphenol
CID 139623862
4-(4-methoxyphenyl)-2-prop-2-enylphenol
CID 54757995

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol (CID 130657351) is 4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol is C=CCc1cc([C@@H](C)N)ccc1O.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol?
The InChIKey is AXDTZRJANKFMIA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-4-10-7-9(8(2)12)5-6-11(10)13/h3,5-8,13H,1,4,12H2,2H3/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol?
4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol has a molecular weight of 177.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol is sourced from PubChem (CID 130657351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).