(1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride

C10H12Cl3N — CID 171204537

IUPAC(1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride
SMILESC=CC[C@@H](N)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C10H11Cl2N.ClH/c1-2-4-9(13)7-5-3-6-8(11)10(7)12;/h2-3,5-6,9H,1,4,13H2;1H/t9-;/m1./s1
InChIKeyBRTBMNRAUZFSSF-SBSPUUFOSA-N
MW252.57 g/mol
LogP3.99
Rot. Bonds3

About (1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride

(1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride (PubChem CID 171204537) has the molecular formula C10H12Cl3N and a molecular weight of 252.57 g/mol. Its IUPAC name is (1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride
PubChem CID171204537
Molecular FormulaC10H12Cl3N
Molecular Weight252.57 g/mol
Exact Mass251.00
IUPAC Name(1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride
SMILESC=CC[C@@H](N)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C10H11Cl2N.ClH/c1-2-4-9(13)7-5-3-6-8(11)10(7)12;/h2-3,5-6,9H,1,4,13H2;1H/t9-;/m1./s1
InChIKeyBRTBMNRAUZFSSF-SBSPUUFOSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride 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

(1S)-1-(2-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 50999277
1-(2-chlorophenyl)but-3-en-1-amine
CID 15322297
(1S)-1-(3-chloro-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171228893
3-[(1R)-1-aminobut-3-enyl]-2-chlorophenol
CID 130779704
(1S)-1-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 55272952
3-amino-3-(2,3-dichlorophenyl)propanal
CID 123893980
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
6-[(1R)-1-aminobut-3-enyl]-2,3-dichlorophenol
CID 131032181
(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
CID 130971374
1-(2,3-dichlorophenyl)but-3-yn-1-amine
CID 87596872
(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224120
(2,3-dichlorophenyl)methanediamine
CID 139660481

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride (CID 171204537) is (1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride is C=CC[C@@H](N)c1cccc(Cl)c1Cl.Cl.
What is the InChIKey of (1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride?
The InChIKey is BRTBMNRAUZFSSF-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11Cl2N.ClH/c1-2-4-9(13)7-5-3-6-8(11)10(7)12;/h2-3,5-6,9H,1,4,13H2;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride?
(1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride has a molecular weight of 252.57 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride is sourced from PubChem (CID 171204537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).