3-indol-1-yl-3-phenylpropan-1-amine

C17H18N2 — CID 58088429

IUPAC3-indol-1-yl-3-phenylpropan-1-amine
SMILESNCCC(c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C17H18N2/c18-12-10-17(14-6-2-1-3-7-14)19-13-11-15-8-4-5-9-16(15)19/h1-9,11,13,17H,10,12,18H2
InChIKeyRNNONCBMUOCDRA-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.58
Rot. Bonds4

About 3-indol-1-yl-3-phenylpropan-1-amine

3-indol-1-yl-3-phenylpropan-1-amine (PubChem CID 58088429) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-indol-1-yl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-indol-1-yl-3-phenylpropan-1-amine
PubChem CID58088429
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name3-indol-1-yl-3-phenylpropan-1-amine
SMILESNCCC(c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C17H18N2/c18-12-10-17(14-6-2-1-3-7-14)19-13-11-15-8-4-5-9-16(15)19/h1-9,11,13,17H,10,12,18H2
InChIKeyRNNONCBMUOCDRA-UHFFFAOYSA-N
XLogP3.58
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-3-phenylpropan-1-amine?
The IUPAC name of 3-indol-1-yl-3-phenylpropan-1-amine (CID 58088429) is 3-indol-1-yl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-indol-1-yl-3-phenylpropan-1-amine?
The canonical SMILES for 3-indol-1-yl-3-phenylpropan-1-amine is NCCC(c1ccccc1)n1ccc2ccccc21.
What is the InChIKey of 3-indol-1-yl-3-phenylpropan-1-amine?
The InChIKey is RNNONCBMUOCDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c18-12-10-17(14-6-2-1-3-7-14)19-13-11-15-8-4-5-9-16(15)19/h1-9,11,13,17H,10,12,18H2.
What are the key properties of 3-indol-1-yl-3-phenylpropan-1-amine?
3-indol-1-yl-3-phenylpropan-1-amine has a molecular weight of 250.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-3-phenylpropan-1-amine is sourced from PubChem (CID 58088429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).