1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine

C20H24FN3 — CID 166203914

IUPAC1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine
SMILESCCC(NCc1cc(C)cc2c(C)c(C)[nH]c12)c1ccc(F)cn1
InChIInChI=1S/C20H24FN3/c1-5-18(19-7-6-16(21)11-23-19)22-10-15-8-12(2)9-17-13(3)14(4)24-20(15)17/h6-9,11,18,22,24H,5,10H2,1-4H3
InChIKeyBCJTVAHUZICVHW-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.87
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine

1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine (PubChem CID 166203914) has the molecular formula C20H24FN3 and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine
PubChem CID166203914
Molecular FormulaC20H24FN3
Molecular Weight325.43 g/mol
Exact Mass325.20
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine
SMILESCCC(NCc1cc(C)cc2c(C)c(C)[nH]c12)c1ccc(F)cn1
InChIInChI=1S/C20H24FN3/c1-5-18(19-7-6-16(21)11-23-19)22-10-15-8-12(2)9-17-13(3)14(4)24-20(15)17/h6-9,11,18,22,24H,5,10H2,1-4H3
InChIKeyBCJTVAHUZICVHW-UHFFFAOYSA-N
XLogP4.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.87
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 1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine (CID 166203914) is 1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine is CCC(NCc1cc(C)cc2c(C)c(C)[nH]c12)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine?
The InChIKey is BCJTVAHUZICVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3/c1-5-18(19-7-6-16(21)11-23-19)22-10-15-8-12(2)9-17-13(3)14(4)24-20(15)17/h6-9,11,18,22,24H,5,10H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine has a molecular weight of 325.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propan-1-amine is sourced from PubChem (CID 166203914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).