4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride

C13H20ClNO — CID 171224638

IUPAC4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
SMILESCc1cc([C@@H](N)C2CCC2)cc(C)c1O.Cl
InChIInChI=1S/C13H19NO.ClH/c1-8-6-11(7-9(2)13(8)15)12(14)10-4-3-5-10;/h6-7,10,12,15H,3-5,14H2,1-2H3;1H/t12-;/m0./s1
InChIKeyZVNZRVNGVWHPMC-YDALLXLXSA-N
MW241.76 g/mol
LogP3.23
Rot. Bonds2

About 4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride

4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride (PubChem CID 171224638) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride.

Molecular Properties

Compound Name4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
PubChem CID171224638
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
SMILESCc1cc([C@@H](N)C2CCC2)cc(C)c1O.Cl
InChIInChI=1S/C13H19NO.ClH/c1-8-6-11(7-9(2)13(8)15)12(14)10-4-3-5-10;/h6-7,10,12,15H,3-5,14H2,1-2H3;1H/t12-;/m0./s1
InChIKeyZVNZRVNGVWHPMC-YDALLXLXSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride
CID 171262445
4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride
CID 171213118
3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 131036736
(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
(R)-cyclopropyl-(4-methoxy-3,5-dimethylphenyl)methanamine;hydrochloride
CID 171211641
(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
4-[(S)-amino(cyclohexyl)methyl]-2,6-ditert-butylphenol;hydrochloride
CID 171217339
4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol
CID 171197827
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol
CID 130731094
(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
CID 171213936

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride?
The IUPAC name of 4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride (CID 171224638) is 4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride.
What is the SMILES notation for 4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride?
The canonical SMILES for 4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride is Cc1cc([C@@H](N)C2CCC2)cc(C)c1O.Cl.
What is the InChIKey of 4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride?
The InChIKey is ZVNZRVNGVWHPMC-YDALLXLXSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-8-6-11(7-9(2)13(8)15)12(14)10-4-3-5-10;/h6-7,10,12,15H,3-5,14H2,1-2H3;1H/t12-;/m0./s1.
What are the key properties of 4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride?
4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride is sourced from PubChem (CID 171224638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).