[(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol

C17H24N2O2 — CID 171079991

IUPAC[(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
SMILESCCOc1cccc2[nH]cc(CCN3CCC[C@H]3CO)c12
InChIInChI=1S/C17H24N2O2/c1-2-21-16-7-3-6-15-17(16)13(11-18-15)8-10-19-9-4-5-14(19)12-20/h3,6-7,11,14,18,20H,2,4-5,8-10,12H2,1H3/t14-/m0/s1
InChIKeyHIGGGMYDEHJBDB-AWEZNQCLSA-N
MW288.39 g/mol
LogP2.57
Rot. Bonds6

About [(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol

[(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 171079991) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
PubChem CID171079991
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
SMILESCCOc1cccc2[nH]cc(CCN3CCC[C@H]3CO)c12
InChIInChI=1S/C17H24N2O2/c1-2-21-16-7-3-6-15-17(16)13(11-18-15)8-10-19-9-4-5-14(19)12-20/h3,6-7,11,14,18,20H,2,4-5,8-10,12H2,1H3/t14-/m0/s1
InChIKeyHIGGGMYDEHJBDB-AWEZNQCLSA-N
XLogP2.57
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-3-ethyl-1H-indole
CID 171816854
[(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
CID 171079902
[1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
CID 171080024
3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
CID 83917405
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 170305481
2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone
CID 136586906
[3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-yl]oxymethanetriol
CID 171079943
[3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-yl] dihydrogen phosphate
CID 169286698
bis[3-(2-pyrrolidin-1-ylethyl)-1H-indol-4-yl] hydrogen phosphate
CID 170759995
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-yl] N-[2-[[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-4-yl]oxycarbonylamino]ethyl]carbamate
CID 170760007

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol (CID 171079991) is [(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol is CCOc1cccc2[nH]cc(CCN3CCC[C@H]3CO)c12.
What is the InChIKey of [(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is HIGGGMYDEHJBDB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-21-16-7-3-6-15-17(16)13(11-18-15)8-10-19-9-4-5-14(19)12-20/h3,6-7,11,14,18,20H,2,4-5,8-10,12H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 288.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 171079991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).