4-[(S)-amino(cyclobutyl)methyl]phenol

C11H15NO — CID 130741168

IUPAC4-[(S)-amino(cyclobutyl)methyl]phenol
SMILESN[C@H](c1ccc(O)cc1)C1CCC1
InChIInChI=1S/C11H15NO/c12-11(8-2-1-3-8)9-4-6-10(13)7-5-9/h4-8,11,13H,1-3,12H2/t11-/m0/s1
InChIKeyPIAZRBNVJZYWAY-NSHDSACASA-N
MW177.25 g/mol
LogP2.19
Rot. Bonds2

About 4-[(S)-amino(cyclobutyl)methyl]phenol

4-[(S)-amino(cyclobutyl)methyl]phenol (PubChem CID 130741168) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[(S)-amino(cyclobutyl)methyl]phenol.

Molecular Properties

Compound Name4-[(S)-amino(cyclobutyl)methyl]phenol
PubChem CID130741168
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[(S)-amino(cyclobutyl)methyl]phenol
SMILESN[C@H](c1ccc(O)cc1)C1CCC1
InChIInChI=1S/C11H15NO/c12-11(8-2-1-3-8)9-4-6-10(13)7-5-9/h4-8,11,13H,1-3,12H2/t11-/m0/s1
InChIKeyPIAZRBNVJZYWAY-NSHDSACASA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
4-[(R)-amino(oxan-4-yl)methyl]phenol
CID 131289814
2-amino-5-[amino(cyclobutyl)methyl]phenol
CID 130061977
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol
CID 131343814
(R)-cyclohexyl-(4-iodophenyl)methanamine
CID 171202889
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
4-(1-cyclobutyl-3-hydroxypropyl)phenol
CID 115024794
(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
CID 171230830
cyclohexyl(phenyl)methanamine
CID 11064121
(S)-cyclobutyl(thiophen-3-yl)methanamine
CID 96933189

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(cyclobutyl)methyl]phenol?
The IUPAC name of 4-[(S)-amino(cyclobutyl)methyl]phenol (CID 130741168) is 4-[(S)-amino(cyclobutyl)methyl]phenol.
What is the SMILES notation for 4-[(S)-amino(cyclobutyl)methyl]phenol?
The canonical SMILES for 4-[(S)-amino(cyclobutyl)methyl]phenol is N[C@H](c1ccc(O)cc1)C1CCC1.
What is the InChIKey of 4-[(S)-amino(cyclobutyl)methyl]phenol?
The InChIKey is PIAZRBNVJZYWAY-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO/c12-11(8-2-1-3-8)9-4-6-10(13)7-5-9/h4-8,11,13H,1-3,12H2/t11-/m0/s1.
What are the key properties of 4-[(S)-amino(cyclobutyl)methyl]phenol?
4-[(S)-amino(cyclobutyl)methyl]phenol has a molecular weight of 177.25 g/mol, XLogP of 2.19, 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]phenol is sourced from PubChem (CID 130741168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).