7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine

C14H17ClN2O — CID 84639757

IUPAC7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine
SMILESCNC1CCc2c([nH]c3cc(Cl)c(OC)cc23)C1
InChIInChI=1S/C14H17ClN2O/c1-16-8-3-4-9-10-6-14(18-2)11(15)7-13(10)17-12(9)5-8/h6-8,16-17H,3-5H2,1-2H3
InChIKeyRAFJJRZOKSFDTD-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.91
Rot. Bonds2

About 7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine

7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine (PubChem CID 84639757) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine.

Molecular Properties

Compound Name7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine
PubChem CID84639757
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine
SMILESCNC1CCc2c([nH]c3cc(Cl)c(OC)cc23)C1
InChIInChI=1S/C14H17ClN2O/c1-16-8-3-4-9-10-6-14(18-2)11(15)7-13(10)17-12(9)5-8/h6-8,16-17H,3-5H2,1-2H3
InChIKeyRAFJJRZOKSFDTD-UHFFFAOYSA-N
XLogP2.91
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine?
The IUPAC name of 7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine (CID 84639757) is 7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine.
What is the SMILES notation for 7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine?
The canonical SMILES for 7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine is CNC1CCc2c([nH]c3cc(Cl)c(OC)cc23)C1.
What is the InChIKey of 7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine?
The InChIKey is RAFJJRZOKSFDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-16-8-3-4-9-10-6-14(18-2)11(15)7-13(10)17-12(9)5-8/h6-8,16-17H,3-5H2,1-2H3.
What are the key properties of 7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine?
7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine has a molecular weight of 264.76 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine is sourced from PubChem (CID 84639757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).