1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine

C15H19ClN2 — CID 84742733

IUPAC1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine
SMILESCNCC1CCCc2[nH]c3c(C)c(Cl)ccc3c21
InChIInChI=1S/C15H19ClN2/c1-9-12(16)7-6-11-14-10(8-17-2)4-3-5-13(14)18-15(9)11/h6-7,10,17-18H,3-5,8H2,1-2H3
InChIKeyUWDUDIJPPYXLET-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.77
Rot. Bonds2

About 1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine

1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine (PubChem CID 84742733) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine
PubChem CID84742733
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine
SMILESCNCC1CCCc2[nH]c3c(C)c(Cl)ccc3c21
InChIInChI=1S/C15H19ClN2/c1-9-12(16)7-6-11-14-10(8-17-2)4-3-5-13(14)18-15(9)11/h6-7,10,17-18H,3-5,8H2,1-2H3
InChIKeyUWDUDIJPPYXLET-UHFFFAOYSA-N
XLogP3.77
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.77
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 1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine (CID 84742733) is 1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine is CNCC1CCCc2[nH]c3c(C)c(Cl)ccc3c21.
What is the InChIKey of 1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine?
The InChIKey is UWDUDIJPPYXLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-9-12(16)7-6-11-14-10(8-17-2)4-3-5-13(14)18-15(9)11/h6-7,10,17-18H,3-5,8H2,1-2H3.
What are the key properties of 1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine?
1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine has a molecular weight of 262.78 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 84742733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).