2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol

C12H17NO — CID 130715159

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

About 2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol

2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol (PubChem CID 130715159) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol
PubChem CID130715159
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol
SMILESCc1ccc(O)c([C@H](N)C2CCC2)c1
InChIInChI=1S/C12H17NO/c1-8-5-6-11(14)10(7-8)12(13)9-3-2-4-9/h5-7,9,12,14H,2-4,13H2,1H3/t12-/m1/s1
InChIKeyADOBJOWZJBTCNY-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'}

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Related Compounds

2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride
CID 171233674
3-[amino(cyclobutyl)methyl]-2-methylphenol
CID 130061106
cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine
CID 82277713
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methylphenol
CID 171288260
2-[amino(cyclopropyl)methyl]-4-methylaniline
CID 55282362
(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol?
The IUPAC name of 2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol (CID 130715159) is 2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol?
The canonical SMILES for 2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol is Cc1ccc(O)c([C@H](N)C2CCC2)c1.
What is the InChIKey of 2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol?
The InChIKey is ADOBJOWZJBTCNY-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-5-6-11(14)10(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]-4-methylphenol?
2-[(R)-amino(cyclobutyl)methyl]-4-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]-4-methylphenol is sourced from PubChem (CID 130715159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).