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

C8H10Cl2N2 — CID 60788932

IUPAC1-(3,5-dichlorophenyl)ethane-1,2-diamine
SMILESNCC(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
InChIKeyJLMCDYSDCCEFAP-UHFFFAOYSA-N
MW205.09 g/mol
LogP1.95
Rot. Bonds2

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

1-(3,5-dichlorophenyl)ethane-1,2-diamine (PubChem CID 60788932) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)ethane-1,2-diamine
PubChem CID60788932
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name1-(3,5-dichlorophenyl)ethane-1,2-diamine
SMILESNCC(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
InChIKeyJLMCDYSDCCEFAP-UHFFFAOYSA-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

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Related Compounds

(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 66517114
(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
2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171224788
1-(3,5-dichlorophenyl)-2-methoxyethanamine
CID 112693325
(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313585
(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 1-(3,5-dichlorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,5-dichlorophenyl)ethane-1,2-diamine (CID 60788932) is 1-(3,5-dichlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)ethane-1,2-diamine is NCC(N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)ethane-1,2-diamine?
The InChIKey is JLMCDYSDCCEFAP-UHFFFAOYSA-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.
What are the key properties of 1-(3,5-dichlorophenyl)ethane-1,2-diamine?
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 1-(3,5-dichlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 60788932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).