7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C13H15ClN2 — CID 83841728

IUPAC7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCc1c(Cl)ccc2c3c([nH]c12)CCC(N)C3
InChIInChI=1S/C13H15ClN2/c1-7-11(14)4-3-9-10-6-8(15)2-5-12(10)16-13(7)9/h3-4,8,16H,2,5-6,15H2,1H3
InChIKeyZIVUZPHTHXMUAX-UHFFFAOYSA-N
MW234.73 g/mol
LogP2.95
Rot. Bonds

About 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 83841728) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID83841728
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCc1c(Cl)ccc2c3c([nH]c12)CCC(N)C3
InChIInChI=1S/C13H15ClN2/c1-7-11(14)4-3-9-10-6-8(15)2-5-12(10)16-13(7)9/h3-4,8,16H,2,5-6,15H2,1H3
InChIKeyZIVUZPHTHXMUAX-UHFFFAOYSA-N
XLogP2.95
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 83841728) is 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is Cc1c(Cl)ccc2c3c([nH]c12)CCC(N)C3.
What is the InChIKey of 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is ZIVUZPHTHXMUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-7-11(14)4-3-9-10-6-8(15)2-5-12(10)16-13(7)9/h3-4,8,16H,2,5-6,15H2,1H3.
What are the key properties of 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 234.73 g/mol, XLogP of 2.95, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 83841728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).