6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C14H16Cl2N2 — CID 65332641

IUPAC6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCNC1CCCc2c1[nH]c1c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H16Cl2N2/c1-2-17-12-5-3-4-9-10-6-8(15)7-11(16)13(10)18-14(9)12/h6-7,12,17-18H,2-5H2,1H3
InChIKeyHIKLTSPLLMKGMK-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.46
Rot. Bonds2

About 6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65332641) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65332641
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCNC1CCCc2c1[nH]c1c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H16Cl2N2/c1-2-17-12-5-3-4-9-10-6-8(15)7-11(16)13(10)18-14(9)12/h6-7,12,17-18H,2-5H2,1H3
InChIKeyHIKLTSPLLMKGMK-UHFFFAOYSA-N
XLogP4.46
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65332641) is 6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CCNC1CCCc2c1[nH]c1c(Cl)cc(Cl)cc21.
What is the InChIKey of 6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is HIKLTSPLLMKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-2-17-12-5-3-4-9-10-6-8(15)7-11(16)13(10)18-14(9)12/h6-7,12,17-18H,2-5H2,1H3.
What are the key properties of 6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 283.20 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65332641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).