2-[1-(3-phenylpropyl)indol-3-yl]ethanamine

C19H22N2 — CID 63156675

IUPAC2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
SMILESNCCc1cn(CCCc2ccccc2)c2ccccc12
InChIInChI=1S/C19H22N2/c20-13-12-17-15-21(19-11-5-4-10-18(17)19)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,15H,6,9,12-14,20H2
InChIKeyZEYKITXUCIFNKX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.78
Rot. Bonds6

About 2-[1-(3-phenylpropyl)indol-3-yl]ethanamine

2-[1-(3-phenylpropyl)indol-3-yl]ethanamine (PubChem CID 63156675) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-(3-phenylpropyl)indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
PubChem CID63156675
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
SMILESNCCc1cn(CCCc2ccccc2)c2ccccc12
InChIInChI=1S/C19H22N2/c20-13-12-17-15-21(19-11-5-4-10-18(17)19)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,15H,6,9,12-14,20H2
InChIKeyZEYKITXUCIFNKX-UHFFFAOYSA-N
XLogP3.78
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-methylsulfanylpropyl)indol-3-yl]ethanamine
CID 113474367
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine
CID 103015036
2-(1-prop-2-enylindol-3-yl)ethanamine
CID 10375539
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine
CID 112591716
1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine
CID 66404648
3-[1-(2-methylprop-2-enyl)indol-3-yl]propan-1-amine
CID 79185478
3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine
CID 65177726
2-[1-(2-ethylbutyl)indol-3-yl]ethanamine
CID 82925282
2-(1-chloroindol-3-yl)ethanamine
CID 22722065
3-(3-benzylindol-1-yl)propan-1-amine;2-[3-(3-benzylindol-1-yl)propyl]isoindole-1,3-dione;hydrochloride
CID 157075101

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenylpropyl)indol-3-yl]ethanamine?
The IUPAC name of 2-[1-(3-phenylpropyl)indol-3-yl]ethanamine (CID 63156675) is 2-[1-(3-phenylpropyl)indol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-phenylpropyl)indol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3-phenylpropyl)indol-3-yl]ethanamine is NCCc1cn(CCCc2ccccc2)c2ccccc12.
What is the InChIKey of 2-[1-(3-phenylpropyl)indol-3-yl]ethanamine?
The InChIKey is ZEYKITXUCIFNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c20-13-12-17-15-21(19-11-5-4-10-18(17)19)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,15H,6,9,12-14,20H2.
What are the key properties of 2-[1-(3-phenylpropyl)indol-3-yl]ethanamine?
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenylpropyl)indol-3-yl]ethanamine is sourced from PubChem (CID 63156675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).