4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine

C13H19Cl2N3 — CID 114132957

IUPAC4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine
SMILESCCN(CCNc1cc(Cl)c(Cl)cc1N)C1CC1
InChIInChI=1S/C13H19Cl2N3/c1-2-18(9-3-4-9)6-5-17-13-8-11(15)10(14)7-12(13)16/h7-9,17H,2-6,16H2,1H3
InChIKeyQATSHZRBKUUZFA-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.47
Rot. Bonds6

About 4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine

4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine (PubChem CID 114132957) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine
PubChem CID114132957
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine
SMILESCCN(CCNc1cc(Cl)c(Cl)cc1N)C1CC1
InChIInChI=1S/C13H19Cl2N3/c1-2-18(9-3-4-9)6-5-17-13-8-11(15)10(14)7-12(13)16/h7-9,17H,2-6,16H2,1H3
InChIKeyQATSHZRBKUUZFA-UHFFFAOYSA-N
XLogP3.47
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 114132964
1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine
CID 114132963
5-bromo-2-[2-[cyclopropyl(ethyl)amino]ethylamino]benzonitrile
CID 114132656
4-chloro-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62976267
4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one
CID 113231653
4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine
CID 114514955
4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride
CID 119874360
N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine
CID 103739535
2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide
CID 104859212
N-tert-butyl-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 61386704
4-(2-amino-4,5-dichloroanilino)butan-1-ol
CID 101197853
N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103637908

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine?
The IUPAC name of 4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine (CID 114132957) is 4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine?
The canonical SMILES for 4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine is CCN(CCNc1cc(Cl)c(Cl)cc1N)C1CC1.
What is the InChIKey of 4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine?
The InChIKey is QATSHZRBKUUZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-2-18(9-3-4-9)6-5-17-13-8-11(15)10(14)7-12(13)16/h7-9,17H,2-6,16H2,1H3.
What are the key properties of 4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine?
4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine has a molecular weight of 288.22 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzene-1,2-diamine is sourced from PubChem (CID 114132957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).