(1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine

C11H13ClIN — CID 130658234

IUPAC(1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine
SMILESN[C@H](CC1CC1)c1c(Cl)cccc1I
InChIInChI=1S/C11H13ClIN/c12-8-2-1-3-9(13)11(8)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2/t10-/m1/s1
InChIKeyZTYBQTODILCWDI-SNVBAGLBSA-N
MW321.59 g/mol
LogP3.74
Rot. Bonds3

About (1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine

(1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine (PubChem CID 130658234) has the molecular formula C11H13ClIN and a molecular weight of 321.59 g/mol. Its IUPAC name is (1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name(1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine
PubChem CID130658234
Molecular FormulaC11H13ClIN
Molecular Weight321.59 g/mol
Exact Mass320.98
IUPAC Name(1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine
SMILESN[C@H](CC1CC1)c1c(Cl)cccc1I
InChIInChI=1S/C11H13ClIN/c12-8-2-1-3-9(13)11(8)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2/t10-/m1/s1
InChIKeyZTYBQTODILCWDI-SNVBAGLBSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine 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-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
(1S)-1-(2-chloro-6-methylphenyl)-2-cyclopropylethanamine
CID 131212960
(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
CID 130971374
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine
CID 131293734
2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
CID 130061799
2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol
CID 131332411
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
CID 171204746
(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine
CID 130917410
2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine
CID 103845963
cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
CID 119031584
2-[(1S)-1-amino-2-cyclopropylethyl]-6-chloro-3-fluorophenol
CID 131417981
(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
CID 171201176

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine?
The IUPAC name of (1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine (CID 130658234) is (1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine.
What is the SMILES notation for (1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine?
The canonical SMILES for (1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine is N[C@H](CC1CC1)c1c(Cl)cccc1I.
What is the InChIKey of (1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine?
The InChIKey is ZTYBQTODILCWDI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13ClIN/c12-8-2-1-3-9(13)11(8)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2/t10-/m1/s1.
What are the key properties of (1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine?
(1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine has a molecular weight of 321.59 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine is sourced from PubChem (CID 130658234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).