2-chloro-2-(4-chlorophenyl)ethanamine

C8H9Cl2N — CID 10702822

IUPAC2-chloro-2-(4-chlorophenyl)ethanamine
SMILESNCC(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C8H9Cl2N/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8H,5,11H2
InChIKeyQKGYKRACHNWPCA-UHFFFAOYSA-N
MW190.07 g/mol
LogP2.58
Rot. Bonds2

About 2-chloro-2-(4-chlorophenyl)ethanamine

2-chloro-2-(4-chlorophenyl)ethanamine (PubChem CID 10702822) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is 2-chloro-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-chloro-2-(4-chlorophenyl)ethanamine
PubChem CID10702822
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name2-chloro-2-(4-chlorophenyl)ethanamine
SMILESNCC(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C8H9Cl2N/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8H,5,11H2
InChIKeyQKGYKRACHNWPCA-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-2-(4-chlorophenyl)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

2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
CID 529342
2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304
3,3-bis(4-chlorophenyl)propan-1-amine
CID 15014585
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine
CID 170894784
[4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane
CID 123841204
3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol
CID 82090652
1-chloro-4-(1-chloro-2-isothiocyanatoethyl)benzene
CID 10513723
3-(4-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105453998
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
CID 10513936

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-chlorophenyl)ethanamine?
The IUPAC name of 2-chloro-2-(4-chlorophenyl)ethanamine (CID 10702822) is 2-chloro-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 2-chloro-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for 2-chloro-2-(4-chlorophenyl)ethanamine is NCC(Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-2-(4-chlorophenyl)ethanamine?
The InChIKey is QKGYKRACHNWPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8H,5,11H2.
What are the key properties of 2-chloro-2-(4-chlorophenyl)ethanamine?
2-chloro-2-(4-chlorophenyl)ethanamine has a molecular weight of 190.07 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 10702822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).