2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane

C11H16Cl2N2 — CID 91428696

IUPAC2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane
SMILESCC.Nc1c(Cl)nc2c(c1Cl)CCCC2
InChIInChI=1S/C9H10Cl2N2.C2H6/c10-7-5-3-1-2-4-6(5)13-9(11)8(7)12;1-2/h1-4,12H2;1-2H3
InChIKeyBFKVHIHCIFZNBF-UHFFFAOYSA-N
MW247.17 g/mol
LogP3.88
Rot. Bonds

About 2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane

2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane (PubChem CID 91428696) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane.

Molecular Properties

Compound Name2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane
PubChem CID91428696
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane
SMILESCC.Nc1c(Cl)nc2c(c1Cl)CCCC2
InChIInChI=1S/C9H10Cl2N2.C2H6/c10-7-5-3-1-2-4-6(5)13-9(11)8(7)12;1-2/h1-4,12H2;1-2H3
InChIKeyBFKVHIHCIFZNBF-UHFFFAOYSA-N
XLogP3.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-chloro-5,6,7,8-tetrahydroquinoline-4-carbonitrile
CID 82611386
4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207
4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine
CID 86171458
5-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 611416
2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480718
5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 55045940
4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
CID 131589354
11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine
CID 139206208
methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
CID 159322065
5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride
CID 141176295
4-[2-[(3-amino-2-chloro-5,6,7,8-tetrahydroquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 139793800
1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane?
The IUPAC name of 2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane (CID 91428696) is 2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane.
What is the SMILES notation for 2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane?
The canonical SMILES for 2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane is CC.Nc1c(Cl)nc2c(c1Cl)CCCC2.
What is the InChIKey of 2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane?
The InChIKey is BFKVHIHCIFZNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2.C2H6/c10-7-5-3-1-2-4-6(5)13-9(11)8(7)12;1-2/h1-4,12H2;1-2H3.
What are the key properties of 2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane?
2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane has a molecular weight of 247.17 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane is sourced from PubChem (CID 91428696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).