3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride

C11H16ClNO — CID 171218060

IUPAC3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
SMILESCl.N[C@H](c1cccc(O)c1)C1CCC1
InChIInChI=1S/C11H15NO.ClH/c12-11(8-3-1-4-8)9-5-2-6-10(13)7-9;/h2,5-8,11,13H,1,3-4,12H2;1H/t11-;/m0./s1
InChIKeyFYUKZISXPUVLHH-MERQFXBCSA-N
MW213.71 g/mol
LogP2.61
Rot. Bonds2

About 3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride

3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride (PubChem CID 171218060) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
PubChem CID171218060
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
SMILESCl.N[C@H](c1cccc(O)c1)C1CCC1
InChIInChI=1S/C11H15NO.ClH/c12-11(8-3-1-4-8)9-5-2-6-10(13)7-9;/h2,5-8,11,13H,1,3-4,12H2;1H/t11-;/m0./s1
InChIKeyFYUKZISXPUVLHH-MERQFXBCSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[amino(cyclohexyl)methyl]phenol
CID 105457850
3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride
CID 171314082
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
(S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride
CID 171234225
3-[amino(pyrrolidin-3-yl)methyl]phenol
CID 105446386
3-[1-amino-2-(cyclobutylamino)ethyl]phenol
CID 117242584
3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
CID 171160686
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride?
The IUPAC name of 3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride (CID 171218060) is 3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride?
The canonical SMILES for 3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride is Cl.N[C@H](c1cccc(O)c1)C1CCC1.
What is the InChIKey of 3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride?
The InChIKey is FYUKZISXPUVLHH-MERQFXBCSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c12-11(8-3-1-4-8)9-5-2-6-10(13)7-9;/h2,5-8,11,13H,1,3-4,12H2;1H/t11-;/m0./s1.
What are the key properties of 3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride?
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride is sourced from PubChem (CID 171218060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).