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

C15H18Cl2N2 — CID 65333191

IUPAC6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
SMILESCCCNC1CCCc2[nH]c3c(Cl)cc(Cl)cc3c21
InChIInChI=1S/C15H18Cl2N2/c1-2-6-18-12-4-3-5-13-14(12)10-7-9(16)8-11(17)15(10)19-13/h7-8,12,18-19H,2-6H2,1H3
InChIKeyLVKDPQLOPCMJER-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.85
Rot. Bonds3

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

6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine (PubChem CID 65333191) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
PubChem CID65333191
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
SMILESCCCNC1CCCc2[nH]c3c(Cl)cc(Cl)cc3c21
InChIInChI=1S/C15H18Cl2N2/c1-2-6-18-12-4-3-5-13-14(12)10-7-9(16)8-11(17)15(10)19-13/h7-8,12,18-19H,2-6H2,1H3
InChIKeyLVKDPQLOPCMJER-UHFFFAOYSA-N
XLogP4.85
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.85
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 6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The IUPAC name of 6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine (CID 65333191) is 6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine.
What is the SMILES notation for 6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The canonical SMILES for 6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine is CCCNC1CCCc2[nH]c3c(Cl)cc(Cl)cc3c21.
What is the InChIKey of 6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The InChIKey is LVKDPQLOPCMJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-2-6-18-12-4-3-5-13-14(12)10-7-9(16)8-11(17)15(10)19-13/h7-8,12,18-19H,2-6H2,1H3.
What are the key properties of 6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine has a molecular weight of 297.23 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine is sourced from PubChem (CID 65333191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).