[2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol

C11H15NO — CID 130042268

IUPAC[2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol
SMILESC=CC(N)c1c(C)cccc1CO
InChIInChI=1S/C11H15NO/c1-3-10(12)11-8(2)5-4-6-9(11)7-13/h3-6,10,13H,1,7,12H2,2H3
InChIKeyFEKFEDMCMYYHCS-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.67
Rot. Bonds3

About [2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol

[2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol (PubChem CID 130042268) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is [2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol.

Molecular Properties

Compound Name[2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol
PubChem CID130042268
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name[2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol
SMILESC=CC(N)c1c(C)cccc1CO
InChIInChI=1S/C11H15NO/c1-3-10(12)11-8(2)5-4-6-9(11)7-13/h3-6,10,13H,1,7,12H2,2H3
InChIKeyFEKFEDMCMYYHCS-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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

2-[(1S)-1-aminoprop-2-enyl]-3-(hydroxymethyl)phenol
CID 130741330
2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol
CID 130042273
[2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol
CID 130665591
2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline
CID 130671812
1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol
CID 130041488
4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171207895
2-[(1S)-1-aminoprop-2-enyl]-6-fluoro-3-methylphenol
CID 130692924
6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride
CID 171253567
(1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine
CID 55294117
1-(2,6-dimethylphenyl)-2-fluoroethanamine
CID 130061517
(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
[2-(aminomethyl)-3-methylphenyl]methanol
CID 135377044

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol?
The IUPAC name of [2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol (CID 130042268) is [2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol.
What is the SMILES notation for [2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol?
The canonical SMILES for [2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol is C=CC(N)c1c(C)cccc1CO.
What is the InChIKey of [2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol?
The InChIKey is FEKFEDMCMYYHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-10(12)11-8(2)5-4-6-9(11)7-13/h3-6,10,13H,1,7,12H2,2H3.
What are the key properties of [2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol?
[2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol has a molecular weight of 177.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol is sourced from PubChem (CID 130042268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).