(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine

C8H10Cl2N2 — CID 66517114

IUPAC(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H10Cl2N2/c9-6-1-5(8(12)4-11)2-7(10)3-6/h1-3,8H,4,11-12H2/t8-/m0/s1
InChIKeyJLMCDYSDCCEFAP-QMMMGPOBSA-N
MW205.09 g/mol
LogP1.95
Rot. Bonds2

About (1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine

(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine (PubChem CID 66517114) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is (1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
PubChem CID66517114
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H10Cl2N2/c9-6-1-5(8(12)4-11)2-7(10)3-6/h1-3,8H,4,11-12H2/t8-/m0/s1
InChIKeyJLMCDYSDCCEFAP-QMMMGPOBSA-N
XLogP1.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine 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

1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 60788932
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721
1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine
CID 170894456
(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine
CID 130902077
(3R)-3-amino-3-(3,5-dichlorophenyl)propan-1-ol;hydrochloride
CID 171202547
1-(3,5-dichlorophenyl)-2-methoxyethanamine
CID 112693325
(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313585
2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171224788
(1S)-1-(3,5-dichlorophenyl)but-3-en-1-amine;hydrochloride
CID 171222077
(1S)-1-(3,5-dichlorophenyl)hexan-1-amine
CID 171222079
(3R)-3-amino-3-(3,5-dichlorophenyl)propanenitrile;hydrochloride
CID 171260377
(1S)-1-(3,4-dichloro-5-fluorophenyl)ethane-1,2-diamine
CID 66517409

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine (CID 66517114) is (1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine is NC[C@H](N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine?
The InChIKey is JLMCDYSDCCEFAP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c9-6-1-5(8(12)4-11)2-7(10)3-6/h1-3,8H,4,11-12H2/t8-/m0/s1.
What are the key properties of (1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine?
(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine has a molecular weight of 205.09 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 66517114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).