2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol

C12H17NO — CID 130606689

IUPAC2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
SMILESCc1ccc([C@H](N)C2CCC2)c(O)c1
InChIInChI=1S/C12H17NO/c1-8-5-6-10(11(14)7-8)12(13)9-3-2-4-9/h5-7,9,12,14H,2-4,13H2,1H3/t12-/m1/s1
InChIKeyQMYCEFBXCHWGEL-GFCCVEGCSA-N
MW191.27 g/mol
LogP2.50
Rot. Bonds2

About 2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol

2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol (PubChem CID 130606689) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol.

Molecular Properties

Compound Name2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
PubChem CID130606689
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
SMILESCc1ccc([C@H](N)C2CCC2)c(O)c1
InChIInChI=1S/C12H17NO/c1-8-5-6-10(11(14)7-8)12(13)9-3-2-4-9/h5-7,9,12,14H,2-4,13H2,1H3/t12-/m1/s1
InChIKeyQMYCEFBXCHWGEL-GFCCVEGCSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol
CID 130715159
2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol
CID 171314608
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
2-[(R)-amino(cyclobutyl)methyl]-5-fluorophenol
CID 131076706
2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol
CID 130901915
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride
CID 171270298
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
CID 171221506
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol?
The IUPAC name of 2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol (CID 130606689) is 2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol.
What is the SMILES notation for 2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol?
The canonical SMILES for 2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol is Cc1ccc([C@H](N)C2CCC2)c(O)c1.
What is the InChIKey of 2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol?
The InChIKey is QMYCEFBXCHWGEL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-5-6-10(11(14)7-8)12(13)9-3-2-4-9/h5-7,9,12,14H,2-4,13H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol?
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol has a molecular weight of 191.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol is sourced from PubChem (CID 130606689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).