2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine

C18H20N2O — CID 102917753

IUPAC2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine
SMILESNCCc1ccc2ccn(CCOc3ccccc3)c2c1
InChIInChI=1S/C18H20N2O/c19-10-8-15-6-7-16-9-11-20(18(16)14-15)12-13-21-17-4-2-1-3-5-17/h1-7,9,11,14H,8,10,12-13,19H2
InChIKeyPECVSIXYCRMYHP-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.22
Rot. Bonds6

About 2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine

2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine (PubChem CID 102917753) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine
PubChem CID102917753
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine
SMILESNCCc1ccc2ccn(CCOc3ccccc3)c2c1
InChIInChI=1S/C18H20N2O/c19-10-8-15-6-7-16-9-11-20(18(16)14-15)12-13-21-17-4-2-1-3-5-17/h1-7,9,11,14H,8,10,12-13,19H2
InChIKeyPECVSIXYCRMYHP-UHFFFAOYSA-N
XLogP3.22
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

[1-(4-phenylbutyl)indol-6-yl]methanamine
CID 102916392
2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine
CID 106720970
3-[2-(6-fluoroindol-1-yl)ethoxy]aniline
CID 43365850
N-hydroxy-1-(2-phenoxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide
CID 87266323
2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine
CID 107309943
3-(2-indol-1-ylethoxy)benzoic acid
CID 43532512
2-[1-(3-methoxypropyl)indol-5-yl]ethanamine
CID 102917406
2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine
CID 107053881
2-[1-[(2-chloro-3-fluorophenyl)methyl]indol-6-yl]ethanamine
CID 102917786
2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917767
[1-(3-phenylpropyl)indol-6-yl]methanol
CID 102913034
2-[1-[(3-chloro-4-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917723

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine?
The IUPAC name of 2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine (CID 102917753) is 2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine?
The canonical SMILES for 2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine is NCCc1ccc2ccn(CCOc3ccccc3)c2c1.
What is the InChIKey of 2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine?
The InChIKey is PECVSIXYCRMYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-10-8-15-6-7-16-9-11-20(18(16)14-15)12-13-21-17-4-2-1-3-5-17/h1-7,9,11,14H,8,10,12-13,19H2.
What are the key properties of 2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine?
2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine is sourced from PubChem (CID 102917753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).