N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine

C19H20N2 — CID 10826340

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine
SMILESC(\CCc1ccccc1)=N/CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2/c1-2-7-16(8-3-1)9-6-13-20-14-12-17-15-21-19-11-5-4-10-18(17)19/h1-5,7-8,10-11,13,15,21H,6,9,12,14H2/b20-13+
InChIKeyMDYWZHSYWXTVGZ-DEDYPNTBSA-N
MW276.38 g/mol
LogP4.41
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine

N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine (PubChem CID 10826340) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine
PubChem CID10826340
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine
SMILESC(\CCc1ccccc1)=N/CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2/c1-2-7-16(8-3-1)9-6-13-20-14-12-17-15-21-19-11-5-4-10-18(17)19/h1-5,7-8,10-11,13,15,21H,6,9,12,14H2/b20-13+
InChIKeyMDYWZHSYWXTVGZ-DEDYPNTBSA-N
XLogP4.41
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 24893865
3-[4-(1H-indol-3-yl)butyl]-1H-indole
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3-(1H-indol-3-yl)propylazanium chloride
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3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
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5-(1H-indol-3-yl)-1-phenylpentane-2-thione
CID 58171080
3-(1H-indol-3-yl)propane-1,1-diol
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CID 57357905

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine (CID 10826340) is N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine is C(\CCc1ccccc1)=N/CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine?
The InChIKey is MDYWZHSYWXTVGZ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H20N2/c1-2-7-16(8-3-1)9-6-13-20-14-12-17-15-21-19-11-5-4-10-18(17)19/h1-5,7-8,10-11,13,15,21H,6,9,12,14H2/b20-13+.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine?
N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine has a molecular weight of 276.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine is sourced from PubChem (CID 10826340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).