N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

C16H22N2O — CID 29228595

IUPACN-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCCn1cc(CNC[C@@H]2CCCO2)c2ccccc21
InChIInChI=1S/C16H22N2O/c1-2-18-12-13(15-7-3-4-8-16(15)18)10-17-11-14-6-5-9-19-14/h3-4,7-8,12,14,17H,2,5-6,9-11H2,1H3/t14-/m0/s1
InChIKeyABUQWPVFECLGNI-AWEZNQCLSA-N
MW258.37 g/mol
LogP2.93
Rot. Bonds5

About N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 29228595) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID29228595
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCCn1cc(CNC[C@@H]2CCCO2)c2ccccc21
InChIInChI=1S/C16H22N2O/c1-2-18-12-13(15-7-3-4-8-16(15)18)10-17-11-14-6-5-9-19-14/h3-4,7-8,12,14,17H,2,5-6,9-11H2,1H3/t14-/m0/s1
InChIKeyABUQWPVFECLGNI-AWEZNQCLSA-N
XLogP2.93
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine with MolForge

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Related Compounds

1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027030
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27210541
N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124782017
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 35698346
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124783754
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]ethanamine
CID 65165577
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124895108
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine
CID 65165632
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
CID 65165521
N-[(1-ethylindol-3-yl)methyl]cyclooctanamine
CID 29228709
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate
CID 42890150

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 29228595) is N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is CCn1cc(CNC[C@@H]2CCCO2)c2ccccc21.
What is the InChIKey of N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is ABUQWPVFECLGNI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-18-12-13(15-7-3-4-8-16(15)18)10-17-11-14-6-5-9-19-14/h3-4,7-8,12,14,17H,2,5-6,9-11H2,1H3/t14-/m0/s1.
What are the key properties of N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 29228595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).