2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride

C11H15Cl2NO — CID 171217140

IUPAC2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
SMILESCl.N[C@H](c1cc(Cl)ccc1O)C1CCC1
InChIInChI=1S/C11H14ClNO.ClH/c12-8-4-5-10(14)9(6-8)11(13)7-2-1-3-7;/h4-7,11,14H,1-3,13H2;1H/t11-;/m0./s1
InChIKeyLVMWBGLHUCZNNG-MERQFXBCSA-N
MW248.15 g/mol
LogP3.27
Rot. Bonds2

About 2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride

2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride (PubChem CID 171217140) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
PubChem CID171217140
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
SMILESCl.N[C@H](c1cc(Cl)ccc1O)C1CCC1
InChIInChI=1S/C11H14ClNO.ClH/c12-8-4-5-10(14)9(6-8)11(13)7-2-1-3-7;/h4-7,11,14H,1-3,13H2;1H/t11-;/m0./s1
InChIKeyLVMWBGLHUCZNNG-MERQFXBCSA-N
XLogP3.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol
CID 130715159
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
2-[(S)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171233850
2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171214222
2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride
CID 171233674
(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
CID 103947074
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258089
2-[(S)-amino(cyclohexyl)methyl]-4-chloro-6-fluorophenol
CID 171255942
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride?
The IUPAC name of 2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride (CID 171217140) is 2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride.
What is the SMILES notation for 2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride?
The canonical SMILES for 2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride is Cl.N[C@H](c1cc(Cl)ccc1O)C1CCC1.
What is the InChIKey of 2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride?
The InChIKey is LVMWBGLHUCZNNG-MERQFXBCSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c12-8-4-5-10(14)9(6-8)11(13)7-2-1-3-7;/h4-7,11,14H,1-3,13H2;1H/t11-;/m0./s1.
What are the key properties of 2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride?
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride has a molecular weight of 248.15 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride is sourced from PubChem (CID 171217140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).