6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride

C11H14Cl3NO — CID 171257346

IUPAC6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)c(Cl)c1O)C1CCC1
InChIInChI=1S/C11H13Cl2NO.ClH/c12-8-5-4-7(11(15)9(8)13)10(14)6-2-1-3-6;/h4-6,10,15H,1-3,14H2;1H/t10-;/m1./s1
InChIKeyAYSIGBJYVNXBMY-HNCPQSOCSA-N
MW282.60 g/mol
LogP3.92
Rot. Bonds2

About 6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride

6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride (PubChem CID 171257346) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is 6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride.

Molecular Properties

Compound Name6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride
PubChem CID171257346
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC Name6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)c(Cl)c1O)C1CCC1
InChIInChI=1S/C11H13Cl2NO.ClH/c12-8-5-4-7(11(15)9(8)13)10(14)6-2-1-3-6;/h4-6,10,15H,1-3,14H2;1H/t10-;/m1./s1
InChIKeyAYSIGBJYVNXBMY-HNCPQSOCSA-N
XLogP3.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[(S)-amino(cyclobutyl)methyl]-3-fluorophenol;hydrochloride
CID 171254045
(S)-cyclobutyl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
CID 171232393
6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol
CID 130849466
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140
6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride
CID 171256976
6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride
CID 171257341
(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069
6-[(S)-amino(cyclopentyl)methyl]-2,3-difluorophenol
CID 131317967
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 112631034
6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253430

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride?
The IUPAC name of 6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride (CID 171257346) is 6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride.
What is the SMILES notation for 6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride?
The canonical SMILES for 6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride is Cl.N[C@@H](c1ccc(Cl)c(Cl)c1O)C1CCC1.
What is the InChIKey of 6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride?
The InChIKey is AYSIGBJYVNXBMY-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H13Cl2NO.ClH/c12-8-5-4-7(11(15)9(8)13)10(14)6-2-1-3-6;/h4-6,10,15H,1-3,14H2;1H/t10-;/m1./s1.
What are the key properties of 6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride?
6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride has a molecular weight of 282.60 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride is sourced from PubChem (CID 171257346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).