6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C23H26F2N2O3 — CID 23470307

IUPAC6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCOc1cc(CN(C)C2CCc3[nH]c4c(F)cc(F)cc4c3C2)cc(OC)c1OC
InChIInChI=1S/C23H26F2N2O3/c1-27(12-13-7-20(28-2)23(30-4)21(8-13)29-3)15-5-6-19-16(11-15)17-9-14(24)10-18(25)22(17)26-19/h7-10,15,26H,5-6,11-12H2,1-4H3
InChIKeyVZHKYJLCOGMAAN-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.46
Rot. Bonds6

About 6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 23470307) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is 6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID23470307
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCOc1cc(CN(C)C2CCc3[nH]c4c(F)cc(F)cc4c3C2)cc(OC)c1OC
InChIInChI=1S/C23H26F2N2O3/c1-27(12-13-7-20(28-2)23(30-4)21(8-13)29-3)15-5-6-19-16(11-15)17-9-14(24)10-18(25)22(17)26-19/h7-10,15,26H,5-6,11-12H2,1-4H3
InChIKeyVZHKYJLCOGMAAN-UHFFFAOYSA-N
XLogP4.46
TPSA46.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of 6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 23470307) is 6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for 6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for 6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine is COc1cc(CN(C)C2CCc3[nH]c4c(F)cc(F)cc4c3C2)cc(OC)c1OC.
What is the InChIKey of 6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is VZHKYJLCOGMAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c1-27(12-13-7-20(28-2)23(30-4)21(8-13)29-3)15-5-6-19-16(11-15)17-9-14(24)10-18(25)22(17)26-19/h7-10,15,26H,5-6,11-12H2,1-4H3.
What are the key properties of 6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 416.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 23470307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).