2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine

C17H20N2O — CID 16780854

IUPAC2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CN2CCc3ccccc32)cc1
InChIInChI=1S/C17H20N2O/c1-20-15-8-6-13(7-9-15)16(18)12-19-11-10-14-4-2-3-5-17(14)19/h2-9,16H,10-12,18H2,1H3
InChIKeyXPDIEGQGGOSWRK-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.76
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine

2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 16780854) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
PubChem CID16780854
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CN2CCc3ccccc32)cc1
InChIInChI=1S/C17H20N2O/c1-20-15-8-6-13(7-9-15)16(18)12-19-11-10-14-4-2-3-5-17(14)19/h2-9,16H,10-12,18H2,1H3
InChIKeyXPDIEGQGGOSWRK-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 3350158
1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138959492
2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 18070332
1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 16790029
(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
1-(2,3-dihydroindol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 138959489
3-(2,3-dihydroindol-1-yl)-2-methylpropan-1-amine
CID 43174926
1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82291368
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8704403
(2S)-1-(2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-2-amine
CID 22689711
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-amine
CID 81101379
1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 16793669

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine (CID 16780854) is 2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)CN2CCc3ccccc32)cc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is XPDIEGQGGOSWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-20-15-8-6-13(7-9-15)16(18)12-19-11-10-14-4-2-3-5-17(14)19/h2-9,16H,10-12,18H2,1H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine?
2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 268.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 16780854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).