2-amino-5-methyl-4-prop-2-enylphenol

C10H13NO — CID 163979621

IUPAC2-amino-5-methyl-4-prop-2-enylphenol
SMILESC=CCc1cc(N)c(O)cc1C
InChIInChI=1S/C10H13NO/c1-3-4-8-6-9(11)10(12)5-7(8)2/h3,5-6,12H,1,4,11H2,2H3
InChIKeyBBBSLKWKKPCJHR-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.01
Rot. Bonds2

About 2-amino-5-methyl-4-prop-2-enylphenol

2-amino-5-methyl-4-prop-2-enylphenol (PubChem CID 163979621) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-amino-5-methyl-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-amino-5-methyl-4-prop-2-enylphenol
PubChem CID163979621
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-amino-5-methyl-4-prop-2-enylphenol
SMILESC=CCc1cc(N)c(O)cc1C
InChIInChI=1S/C10H13NO/c1-3-4-8-6-9(11)10(12)5-7(8)2/h3,5-6,12H,1,4,11H2,2H3
InChIKeyBBBSLKWKKPCJHR-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-prop-2-enylbenzene-1,2-diol
CID 12635732
4-(4-hydroxy-2-methyl-5-prop-2-enylphenyl)-5-methyl-2-prop-2-enylphenol
CID 54433702
4-bromo-5-methyl-2-prop-2-enylphenol
CID 142719301
1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene
CID 147152105
N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide
CID 123623623
2-amino-5-methylbenzene-1,4-diol
CID 14549398
2-amino-5-methyl-4-nonylphenol
CID 139643471
5-methyl-2-prop-2-enylaniline
CID 45078970
2,4,5-tris(prop-2-enyl)phenol
CID 20562879
4-amino-2-ethyl-5-methylphenol
CID 105429592
4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol
CID 130657351
4-(1-aminoethyl)-2-prop-2-enylphenol
CID 54848971

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-4-prop-2-enylphenol?
The IUPAC name of 2-amino-5-methyl-4-prop-2-enylphenol (CID 163979621) is 2-amino-5-methyl-4-prop-2-enylphenol.
What is the SMILES notation for 2-amino-5-methyl-4-prop-2-enylphenol?
The canonical SMILES for 2-amino-5-methyl-4-prop-2-enylphenol is C=CCc1cc(N)c(O)cc1C.
What is the InChIKey of 2-amino-5-methyl-4-prop-2-enylphenol?
The InChIKey is BBBSLKWKKPCJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-4-8-6-9(11)10(12)5-7(8)2/h3,5-6,12H,1,4,11H2,2H3.
What are the key properties of 2-amino-5-methyl-4-prop-2-enylphenol?
2-amino-5-methyl-4-prop-2-enylphenol has a molecular weight of 163.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-4-prop-2-enylphenol is sourced from PubChem (CID 163979621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).