2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine

C9H11Cl2NO — CID 116937510

IUPAC2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Cl)cc1C(N)CCl
InChIInChI=1S/C9H11Cl2NO/c1-13-9-3-2-6(11)4-7(9)8(12)5-10/h2-4,8H,5,12H2,1H3
InChIKeyWJBNQWYUIODDBC-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine

2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine (PubChem CID 116937510) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
PubChem CID116937510
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Cl)cc1C(N)CCl
InChIInChI=1S/C9H11Cl2NO/c1-13-9-3-2-6(11)4-7(9)8(12)5-10/h2-4,8H,5,12H2,1H3
InChIKeyWJBNQWYUIODDBC-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine 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

(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
(1R)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171215027
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)propanenitrile;hydrochloride
CID 171260205
1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 105141041
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 55135517
1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105140888
1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
CID 115845367

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine?
The IUPAC name of 2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine (CID 116937510) is 2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine is COc1ccc(Cl)cc1C(N)CCl.
What is the InChIKey of 2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine?
The InChIKey is WJBNQWYUIODDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-13-9-3-2-6(11)4-7(9)8(12)5-10/h2-4,8H,5,12H2,1H3.
What are the key properties of 2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine?
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine has a molecular weight of 220.10 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 116937510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).