2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride

C15H24ClNO2 — CID 171233674

IUPAC2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride
SMILESCC(C)(C)Oc1ccc(O)c([C@@H](N)C2CCC2)c1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-15(2,3)18-11-7-8-13(17)12(9-11)14(16)10-5-4-6-10;/h7-10,14,17H,4-6,16H2,1-3H3;1H/t14-;/m0./s1
InChIKeyHBYXLOILLILZIG-UQKRIMTDSA-N
MW285.82 g/mol
LogP3.79
Rot. Bonds3

About 2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride

2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride (PubChem CID 171233674) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride.

Molecular Properties

Compound Name2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride
PubChem CID171233674
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC Name2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride
SMILESCC(C)(C)Oc1ccc(O)c([C@@H](N)C2CCC2)c1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-15(2,3)18-11-7-8-13(17)12(9-11)14(16)10-5-4-6-10;/h7-10,14,17H,4-6,16H2,1-3H3;1H/t14-;/m0./s1
InChIKeyHBYXLOILLILZIG-UQKRIMTDSA-N
XLogP3.79
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210144
2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol
CID 130715159
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140
2-[(1S)-1,2-diaminoethyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride
CID 171214015
2-[(1S)-1-aminobutyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride
CID 171233656
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
CID 171200665
2-[(1R)-1-amino-3-methylbutyl]-4-[(2-methylpropan-2-yl)oxy]phenol
CID 171214035
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171269839
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258089
2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]-4-methoxyphenol
CID 171267534
(S)-cyclobutyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methanamine
CID 171228325
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-4-methoxyphenol;hydrochloride
CID 171261853

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride?
The IUPAC name of 2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride (CID 171233674) is 2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride.
What is the SMILES notation for 2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride?
The canonical SMILES for 2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride is CC(C)(C)Oc1ccc(O)c([C@@H](N)C2CCC2)c1.Cl.
What is the InChIKey of 2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride?
The InChIKey is HBYXLOILLILZIG-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-15(2,3)18-11-7-8-13(17)12(9-11)14(16)10-5-4-6-10;/h7-10,14,17H,4-6,16H2,1-3H3;1H/t14-;/m0./s1.
What are the key properties of 2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride?
2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride is sourced from PubChem (CID 171233674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).