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

C14H17FN2 — CID 84626995

IUPAC1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
SMILESCNCC1CCc2[nH]c3cc(F)ccc3c2C1
InChIInChI=1S/C14H17FN2/c1-16-8-9-2-5-13-12(6-9)11-4-3-10(15)7-14(11)17-13/h3-4,7,9,16-17H,2,5-6,8H2,1H3
InChIKeyFSBSJJHWEWFDRM-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.63
Rot. Bonds2

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

1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine (PubChem CID 84626995) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
PubChem CID84626995
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
SMILESCNCC1CCc2[nH]c3cc(F)ccc3c2C1
InChIInChI=1S/C14H17FN2/c1-16-8-9-2-5-13-12(6-9)11-4-3-10(15)7-14(11)17-13/h3-4,7,9,16-17H,2,5-6,8H2,1H3
InChIKeyFSBSJJHWEWFDRM-UHFFFAOYSA-N
XLogP2.63
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.63
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-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine (CID 84626995) is 1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine is CNCC1CCc2[nH]c3cc(F)ccc3c2C1.
What is the InChIKey of 1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine?
The InChIKey is FSBSJJHWEWFDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-16-8-9-2-5-13-12(6-9)11-4-3-10(15)7-14(11)17-13/h3-4,7,9,16-17H,2,5-6,8H2,1H3.
What are the key properties of 1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine?
1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine has a molecular weight of 232.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 84626995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).