2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine

C18H20N2O — CID 102940691

IUPAC2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine
SMILESNCCc1cccc2ccn(COCc3ccccc3)c12
InChIInChI=1S/C18H20N2O/c19-11-9-16-7-4-8-17-10-12-20(18(16)17)14-21-13-15-5-2-1-3-6-15/h1-8,10,12H,9,11,13-14,19H2
InChIKeyWXAFJUJCTSIPHD-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.32
Rot. Bonds6

About 2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine

2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine (PubChem CID 102940691) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine
PubChem CID102940691
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine
SMILESNCCc1cccc2ccn(COCc3ccccc3)c12
InChIInChI=1S/C18H20N2O/c19-11-9-16-7-4-8-17-10-12-20(18(16)17)14-21-13-15-5-2-1-3-6-15/h1-8,10,12H,9,11,13-14,19H2
InChIKeyWXAFJUJCTSIPHD-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propylindol-7-yl)ethanamine
CID 102917066
2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine
CID 102917143
2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine
CID 102940394
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine
CID 102917151
2-[1-(2-thiophen-3-ylethyl)indol-7-yl]ethanamine
CID 102917113
5-methyl-1-(phenylmethoxymethyl)indole
CID 102940732
2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine
CID 106720962
1-benzyl-7-(2-methylpropyl)indole
CID 59836563
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine
CID 102917161
2-(1-benzylindol-7-yl)acetic acid
CID 115107342
[1-(3-phenylpropyl)indol-7-yl]methanol
CID 102911939
5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile
CID 102917116

Frequently Asked Questions

What is the IUPAC name of 2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine?
The IUPAC name of 2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine (CID 102940691) is 2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine.
What is the SMILES notation for 2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine?
The canonical SMILES for 2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine is NCCc1cccc2ccn(COCc3ccccc3)c12.
What is the InChIKey of 2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine?
The InChIKey is WXAFJUJCTSIPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-11-9-16-7-4-8-17-10-12-20(18(16)17)14-21-13-15-5-2-1-3-6-15/h1-8,10,12H,9,11,13-14,19H2.
What are the key properties of 2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine?
2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(phenylmethoxymethyl)indol-7-yl]ethanamine is sourced from PubChem (CID 102940691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).