3-indol-1-yl-N-methyl-3-phenylpropan-1-amine

C18H20N2 — CID 44593439

IUPAC3-indol-1-yl-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C18H20N2/c1-19-13-11-18(15-7-3-2-4-8-15)20-14-12-16-9-5-6-10-17(16)20/h2-10,12,14,18-19H,11,13H2,1H3
InChIKeyVDFAJYFMKVKZLC-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.84
Rot. Bonds5

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

3-indol-1-yl-N-methyl-3-phenylpropan-1-amine (PubChem CID 44593439) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-indol-1-yl-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-indol-1-yl-N-methyl-3-phenylpropan-1-amine
PubChem CID44593439
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-indol-1-yl-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C18H20N2/c1-19-13-11-18(15-7-3-2-4-8-15)20-14-12-16-9-5-6-10-17(16)20/h2-10,12,14,18-19H,11,13H2,1H3
InChIKeyVDFAJYFMKVKZLC-UHFFFAOYSA-N
XLogP3.84
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.84
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-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-indol-1-yl-N-methyl-3-phenylpropan-1-amine (CID 44593439) is 3-indol-1-yl-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-indol-1-yl-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-indol-1-yl-N-methyl-3-phenylpropan-1-amine is CNCCC(c1ccccc1)n1ccc2ccccc21.
What is the InChIKey of 3-indol-1-yl-N-methyl-3-phenylpropan-1-amine?
The InChIKey is VDFAJYFMKVKZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-19-13-11-18(15-7-3-2-4-8-15)20-14-12-16-9-5-6-10-17(16)20/h2-10,12,14,18-19H,11,13H2,1H3.
What are the key properties of 3-indol-1-yl-N-methyl-3-phenylpropan-1-amine?
3-indol-1-yl-N-methyl-3-phenylpropan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 44593439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).