1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol

C11H16N2O — CID 130905487

IUPAC1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol
SMILESCc1c(N)cccc1N1CC(C)(O)C1
InChIInChI=1S/C11H16N2O/c1-8-9(12)4-3-5-10(8)13-6-11(2,14)7-13/h3-5,14H,6-7,12H2,1-2H3
InChIKeyFSCIYDWRZCRSPM-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.15
Rot. Bonds1

About 1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol

1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol (PubChem CID 130905487) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol
PubChem CID130905487
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol
SMILESCc1c(N)cccc1N1CC(C)(O)C1
InChIInChI=1S/C11H16N2O/c1-8-9(12)4-3-5-10(8)13-6-11(2,14)7-13/h3-5,14H,6-7,12H2,1-2H3
InChIKeyFSCIYDWRZCRSPM-UHFFFAOYSA-N
XLogP1.15
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-2-methylphenyl)pyrrolidine-3,4-diol
CID 106667572
2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 63075904
3-(4-cyclopropylpiperazin-1-yl)-2-methylaniline
CID 55147181
1-(2-fluorophenyl)-3-methylazetidin-3-ol
CID 173302434
2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 55159356
1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298123
2-bromo-6-(3-hydroxy-3-methylazetidin-1-yl)benzaldehyde
CID 130934552
2-methyl-3-(3-methylpiperidin-1-yl)aniline
CID 63076229
tert-butyl 4-(3-amino-2-methylphenyl)piperazine-1-carboxylate
CID 114518325
2-methyl-3-(1,2,4-triazol-4-yl)aniline
CID 54845249
3-(4-cyclopropylsulfonylpiperazin-1-yl)-2-methylaniline
CID 145076061
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylaniline
CID 63061360

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol (CID 130905487) is 1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol is Cc1c(N)cccc1N1CC(C)(O)C1.
What is the InChIKey of 1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol?
The InChIKey is FSCIYDWRZCRSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-9(12)4-3-5-10(8)13-6-11(2,14)7-13/h3-5,14H,6-7,12H2,1-2H3.
What are the key properties of 1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol?
1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol has a molecular weight of 192.26 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylphenyl)-3-methylazetidin-3-ol is sourced from PubChem (CID 130905487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).