3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol

C15H20N2O2 — CID 107268183

IUPAC3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCc1cccc2[nH]ccc12
InChIInChI=1S/C15H20N2O2/c1-11-15(18,6-8-19-11)10-16-9-12-3-2-4-14-13(12)5-7-17-14/h2-5,7,11,16-18H,6,8-10H2,1H3
InChIKeyHGEJVNMCPHHAKM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.80
Rot. Bonds4

About 3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol

3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol (PubChem CID 107268183) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
PubChem CID107268183
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCc1cccc2[nH]ccc12
InChIInChI=1S/C15H20N2O2/c1-11-15(18,6-8-19-11)10-16-9-12-3-2-4-14-13(12)5-7-17-14/h2-5,7,11,16-18H,6,8-10H2,1H3
InChIKeyHGEJVNMCPHHAKM-UHFFFAOYSA-N
XLogP1.80
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268272
3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100191
1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 111114552
2-[1-[(1H-indol-4-ylmethylamino)methyl]cyclopropyl]ethanol
CID 114750289
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 113252690
1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705018
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391
N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine
CID 82725136
1-(1H-indol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802406
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020

Frequently Asked Questions

What is the IUPAC name of 3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol (CID 107268183) is 3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNCc1cccc2[nH]ccc12.
What is the InChIKey of 3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol?
The InChIKey is HGEJVNMCPHHAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-15(18,6-8-19-11)10-16-9-12-3-2-4-14-13(12)5-7-17-14/h2-5,7,11,16-18H,6,8-10H2,1H3.
What are the key properties of 3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol?
3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol has a molecular weight of 260.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107268183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).