2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol

C12H16FNO — CID 131448433

IUPAC2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol
SMILESCc1ccc(F)c([C@H](N)C2CCC2)c1O
InChIInChI=1S/C12H16FNO/c1-7-5-6-9(13)10(12(7)15)11(14)8-3-2-4-8/h5-6,8,11,15H,2-4,14H2,1H3/t11-/m1/s1
InChIKeyOCRGQHSHGXORPS-LLVKDONJSA-N
MW209.26 g/mol
LogP2.64
Rot. Bonds2

About 2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol

2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol (PubChem CID 131448433) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol.

Molecular Properties

Compound Name2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol
PubChem CID131448433
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol
SMILESCc1ccc(F)c([C@H](N)C2CCC2)c1O
InChIInChI=1S/C12H16FNO/c1-7-5-6-9(13)10(12(7)15)11(14)8-3-2-4-8/h5-6,8,11,15H,2-4,14H2,1H3/t11-/m1/s1
InChIKeyOCRGQHSHGXORPS-LLVKDONJSA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(R)-amino(cyclopropyl)methyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257306
2-[(S)-amino(cyclohexyl)methyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253546
(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine
CID 171209698
2-[(S)-amino(cyclobutyl)methyl]-3-hydroxy-4-methylbenzoic acid;hydrochloride
CID 171254855
2-[(1R)-1-amino-2-cyclopropylethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257318
2-[(S)-amino(cyclobutyl)methyl]-6-methyl-3-nitrophenol
CID 171255305
2-[(R)-amino(cyclobutyl)methyl]-6-methyl-3-nitrophenol
CID 171258648
2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol
CID 130748681
2-[(R)-amino(oxan-4-yl)methyl]-3,6-difluorophenol
CID 171256503
3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid
CID 171258711

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol?
The IUPAC name of 2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol (CID 131448433) is 2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol.
What is the SMILES notation for 2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol?
The canonical SMILES for 2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol is Cc1ccc(F)c([C@H](N)C2CCC2)c1O.
What is the InChIKey of 2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol?
The InChIKey is OCRGQHSHGXORPS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16FNO/c1-7-5-6-9(13)10(12(7)15)11(14)8-3-2-4-8/h5-6,8,11,15H,2-4,14H2,1H3/t11-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol?
2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol has a molecular weight of 209.26 g/mol, XLogP of 2.64, 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]-3-fluoro-6-methylphenol is sourced from PubChem (CID 131448433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).