2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride

C10H12BrCl2NO — CID 171256340

IUPAC2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride
SMILESCl.N[C@@H](c1c(Cl)ccc(Br)c1O)C1CC1
InChIInChI=1S/C10H11BrClNO.ClH/c11-6-3-4-7(12)8(10(6)14)9(13)5-1-2-5;/h3-5,9,14H,1-2,13H2;1H/t9-;/m1./s1
InChIKeyVXUQESQUOVRKKR-SBSPUUFOSA-N
MW313.02 g/mol
LogP3.64
Rot. Bonds2

About 2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride

2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride (PubChem CID 171256340) has the molecular formula C10H12BrCl2NO and a molecular weight of 313.02 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride
PubChem CID171256340
Molecular FormulaC10H12BrCl2NO
Molecular Weight313.02 g/mol
Exact Mass310.95
IUPAC Name2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride
SMILESCl.N[C@@H](c1c(Cl)ccc(Br)c1O)C1CC1
InChIInChI=1S/C10H11BrClNO.ClH/c11-6-3-4-7(12)8(10(6)14)9(13)5-1-2-5;/h3-5,9,14H,1-2,13H2;1H/t9-;/m1./s1
InChIKeyVXUQESQUOVRKKR-SBSPUUFOSA-N
XLogP3.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.02
LogP ≤ 53.64
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-[(R)-amino(oxan-4-yl)methyl]-3-bromo-6-chlorophenol;hydrochloride
CID 171256582
2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol
CID 131332411
2-[(S)-amino(cyclopentyl)methyl]-3,6-dibromophenol
CID 131500799
2-[(R)-amino(oxan-4-yl)methyl]-3,6-dibromophenol;hydrochloride
CID 171256660
2-[(1S)-1-amino-2-fluoroethyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171256337
cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
CID 119031584
2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol
CID 130748681
6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol
CID 130849466
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol
CID 130950779
2-[(S)-amino(cyclopentyl)methyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253038
2-[(R)-amino(oxan-4-yl)methyl]-6-bromo-3-fluorophenol;hydrochloride
CID 171256855
2-[(S)-amino(cyclobutyl)methyl]-6-bromo-3-(trifluoromethyl)phenol;hydrochloride
CID 171255701

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride (CID 171256340) is 2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride is Cl.N[C@@H](c1c(Cl)ccc(Br)c1O)C1CC1.
What is the InChIKey of 2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride?
The InChIKey is VXUQESQUOVRKKR-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11BrClNO.ClH/c11-6-3-4-7(12)8(10(6)14)9(13)5-1-2-5;/h3-5,9,14H,1-2,13H2;1H/t9-;/m1./s1.
What are the key properties of 2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride?
2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride has a molecular weight of 313.02 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride is sourced from PubChem (CID 171256340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).