4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine

C13H16Cl2N2 — CID 106166084

IUPAC4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine
SMILESNc1cc(Cl)c(Cl)cc1NCCC1=CCCC1
InChIInChI=1S/C13H16Cl2N2/c14-10-7-12(16)13(8-11(10)15)17-6-5-9-3-1-2-4-9/h3,7-8,17H,1-2,4-6,16H2
InChIKeyBGUHHXAGMLVVFW-UHFFFAOYSA-N
MW271.19 g/mol
LogP4.49
Rot. Bonds4

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

4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine (PubChem CID 106166084) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine
PubChem CID106166084
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Name4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine
SMILESNc1cc(Cl)c(Cl)cc1NCCC1=CCCC1
InChIInChI=1S/C13H16Cl2N2/c14-10-7-12(16)13(8-11(10)15)17-6-5-9-3-1-2-4-9/h3,7-8,17H,1-2,4-6,16H2
InChIKeyBGUHHXAGMLVVFW-UHFFFAOYSA-N
XLogP4.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 106166262
1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 114152744
1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 107845952
2-N-[2-(cyclopenten-1-yl)ethyl]-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 106166218
4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide
CID 114152757
5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline
CID 106177686
5-chloro-4-N-[2-(cyclopenten-1-yl)ethyl]pyrimidine-4,6-diamine
CID 106812320
4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
CID 106166027
3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
CID 106177550
5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile
CID 106166022
3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide
CID 107846340
5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile
CID 106173601

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine (CID 106166084) is 4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine is Nc1cc(Cl)c(Cl)cc1NCCC1=CCCC1.
What is the InChIKey of 4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine?
The InChIKey is BGUHHXAGMLVVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2/c14-10-7-12(16)13(8-11(10)15)17-6-5-9-3-1-2-4-9/h3,7-8,17H,1-2,4-6,16H2.
What are the key properties of 4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine?
4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine has a molecular weight of 271.19 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 106166084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).