(1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride

C8H10Cl3N — CID 131841891

IUPAC(1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C8H9Cl2N.ClH/c1-5(11)6-3-2-4-7(9)8(6)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChIKeyFQTXPVLCCDQRHY-JEDNCBNOSA-N
MW226.53 g/mol
LogP3.43
Rot. Bonds1

About (1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride

(1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride (PubChem CID 131841891) has the molecular formula C8H10Cl3N and a molecular weight of 226.53 g/mol. Its IUPAC name is (1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride
PubChem CID131841891
Molecular FormulaC8H10Cl3N
Molecular Weight226.53 g/mol
Exact Mass224.99
IUPAC Name(1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C8H9Cl2N.ClH/c1-5(11)6-3-2-4-7(9)8(6)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChIKeyFQTXPVLCCDQRHY-JEDNCBNOSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride (CID 131841891) is (1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride is C[C@H](N)c1cccc(Cl)c1Cl.Cl.
What is the InChIKey of (1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride?
The InChIKey is FQTXPVLCCDQRHY-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H9Cl2N.ClH/c1-5(11)6-3-2-4-7(9)8(6)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride?
(1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride has a molecular weight of 226.53 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dichlorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 131841891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).