2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol

C11H13BrClNO — CID 131332411

IUPAC2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol
SMILESN[C@H](CC1CC1)c1c(Cl)ccc(Br)c1O
InChIInChI=1S/C11H13BrClNO/c12-7-3-4-8(13)10(11(7)15)9(14)5-6-1-2-6/h3-4,6,9,15H,1-2,5,14H2/t9-/m1/s1
InChIKeyKIHGLEZAPSSLPB-SECBINFHSA-N
MW290.59 g/mol
LogP3.61
Rot. Bonds3

About 2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol

2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol (PubChem CID 131332411) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol
PubChem CID131332411
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol
SMILESN[C@H](CC1CC1)c1c(Cl)ccc(Br)c1O
InChIInChI=1S/C11H13BrClNO/c12-7-3-4-8(13)10(11(7)15)9(14)5-6-1-2-6/h3-4,6,9,15H,1-2,5,14H2/t9-/m1/s1
InChIKeyKIHGLEZAPSSLPB-SECBINFHSA-N
XLogP3.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol 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

2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol
CID 130950779
2-[(1S)-1-amino-2-fluoroethyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171256337
2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171256340
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol
CID 131117949
2-[(1S)-1-amino-2-cyclopropylethyl]-6-chloro-3-fluorophenol
CID 131417981
2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-(trifluoromethyl)phenol;hydrochloride
CID 171259060
2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171259217
(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine
CID 130840491
3-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-2-hydroxybenzoic acid;hydrochloride
CID 171257994
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine
CID 131293734
2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
CID 130061799

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol?
The IUPAC name of 2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol (CID 131332411) is 2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol?
The canonical SMILES for 2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol is N[C@H](CC1CC1)c1c(Cl)ccc(Br)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol?
The InChIKey is KIHGLEZAPSSLPB-SECBINFHSA-N. The full InChI is InChI=1S/C11H13BrClNO/c12-7-3-4-8(13)10(11(7)15)9(14)5-6-1-2-6/h3-4,6,9,15H,1-2,5,14H2/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol?
2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol has a molecular weight of 290.59 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol is sourced from PubChem (CID 131332411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).