[4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol

C17H24N2O2 — CID 56908522

IUPAC[4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol
SMILESCN(Cc1ccc2[nH]ccc2c1)CC1(CO)CCOCC1
InChIInChI=1S/C17H24N2O2/c1-19(12-17(13-20)5-8-21-9-6-17)11-14-2-3-16-15(10-14)4-7-18-16/h2-4,7,10,18,20H,5-6,8-9,11-13H2,1H3
InChIKeyDIJSUEHJBXZELJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.39
Rot. Bonds5

About [4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol

[4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol (PubChem CID 56908522) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol
PubChem CID56908522
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol
SMILESCN(Cc1ccc2[nH]ccc2c1)CC1(CO)CCOCC1
InChIInChI=1S/C17H24N2O2/c1-19(12-17(13-20)5-8-21-9-6-17)11-14-2-3-16-15(10-14)4-7-18-16/h2-4,7,10,18,20H,5-6,8-9,11-13H2,1H3
InChIKeyDIJSUEHJBXZELJ-UHFFFAOYSA-N
XLogP2.39
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol with MolForge

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Related Compounds

(2R)-N-(1H-indol-5-ylmethyl)-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 95207377
[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243516
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
CID 62271267
[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 115249023
1-(1H-indol-5-ylmethyl)-N,N-dimethylcyclobutan-1-amine
CID 57194101
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 62392345
[4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol
CID 91841621
4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 114952780
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide
CID 119070678
[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976506
4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746943

Frequently Asked Questions

What is the IUPAC name of [4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol (CID 56908522) is [4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol is CN(Cc1ccc2[nH]ccc2c1)CC1(CO)CCOCC1.
What is the InChIKey of [4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol?
The InChIKey is DIJSUEHJBXZELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19(12-17(13-20)5-8-21-9-6-17)11-14-2-3-16-15(10-14)4-7-18-16/h2-4,7,10,18,20H,5-6,8-9,11-13H2,1H3.
What are the key properties of [4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol?
[4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol has a molecular weight of 288.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 56908522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).