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

C12H17NO — CID 131036736

IUPAC3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
SMILESCc1cc(O)cc([C@H](N)C2CCC2)c1
InChIInChI=1S/C12H17NO/c1-8-5-10(7-11(14)6-8)12(13)9-3-2-4-9/h5-7,9,12,14H,2-4,13H2,1H3/t12-/m1/s1
InChIKeyWZWFTMWLBAWLDD-GFCCVEGCSA-N
MW191.27 g/mol
LogP2.50
Rot. Bonds2

About 3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol

3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol (PubChem CID 131036736) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol.

Molecular Properties

Compound Name3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
PubChem CID131036736
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
SMILESCc1cc(O)cc([C@H](N)C2CCC2)c1
InChIInChI=1S/C12H17NO/c1-8-5-10(7-11(14)6-8)12(13)9-3-2-4-9/h5-7,9,12,14H,2-4,13H2,1H3/t12-/m1/s1
InChIKeyWZWFTMWLBAWLDD-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

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Related Compounds

(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056
(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
CID 130054445
(3-bromo-5-methylphenyl)-cyclobutylmethanamine
CID 112631023
4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
CID 171224638
(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 63415986
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
(R)-(3-chloro-5-methylphenyl)-cyclopropylmethanamine
CID 55278008
5-[(R)-amino(oxan-4-yl)methyl]benzene-1,3-diol;hydrochloride
CID 171246230
4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride
CID 171198721
(3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine
CID 65395177

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol?
The IUPAC name of 3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol (CID 131036736) is 3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol.
What is the SMILES notation for 3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol?
The canonical SMILES for 3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol is Cc1cc(O)cc([C@H](N)C2CCC2)c1.
What is the InChIKey of 3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol?
The InChIKey is WZWFTMWLBAWLDD-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-5-10(7-11(14)6-8)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 3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol?
3-[(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 3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol is sourced from PubChem (CID 131036736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).