N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine

C19H21FN2 — CID 141126991

IUPACN-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine
SMILESCCNCCC(c1ccccc1)n1ccc2cc(F)ccc21
InChIInChI=1S/C19H21FN2/c1-2-21-12-10-19(15-6-4-3-5-7-15)22-13-11-16-14-17(20)8-9-18(16)22/h3-9,11,13-14,19,21H,2,10,12H2,1H3
InChIKeyAHJGQHSMGYHBRY-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.37
Rot. Bonds6

About N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine

N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine (PubChem CID 141126991) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine
PubChem CID141126991
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC NameN-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine
SMILESCCNCCC(c1ccccc1)n1ccc2cc(F)ccc21
InChIInChI=1S/C19H21FN2/c1-2-21-12-10-19(15-6-4-3-5-7-15)22-13-11-16-14-17(20)8-9-18(16)22/h3-9,11,13-14,19,21H,2,10,12H2,1H3
InChIKeyAHJGQHSMGYHBRY-UHFFFAOYSA-N
XLogP4.37
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine?
The IUPAC name of N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine (CID 141126991) is N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine is CCNCCC(c1ccccc1)n1ccc2cc(F)ccc21.
What is the InChIKey of N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine?
The InChIKey is AHJGQHSMGYHBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c1-2-21-12-10-19(15-6-4-3-5-7-15)22-13-11-16-14-17(20)8-9-18(16)22/h3-9,11,13-14,19,21H,2,10,12H2,1H3.
What are the key properties of N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine?
N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine has a molecular weight of 296.39 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 141126991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).