3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol

C15H19ClN2O2 — CID 106100191

IUPAC3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O2/c1-10-15(19,4-5-20-10)9-17-7-11-8-18-14-6-12(16)2-3-13(11)14/h2-3,6,8,10,17-19H,4-5,7,9H2,1H3
InChIKeyHFFAJHJDYDWVKD-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.45
Rot. Bonds4

About 3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol

3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 106100191) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
PubChem CID106100191
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O2/c1-10-15(19,4-5-20-10)9-17-7-11-8-18-14-6-12(16)2-3-13(11)14/h2-3,6,8,10,17-19H,4-5,7,9H2,1H3
InChIKeyHFFAJHJDYDWVKD-UHFFFAOYSA-N
XLogP2.45
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
CID 107268183
3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
CID 78971605
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498
2-(2,4-dichlorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301999
3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268272
4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol
CID 78968534
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylcyclohexan-1-amine
CID 78968600
N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
CID 102695801
3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268423
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 107301756
N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 78974959

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol (CID 106100191) is 3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is HFFAJHJDYDWVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-15(19,4-5-20-10)9-17-7-11-8-18-14-6-12(16)2-3-13(11)14/h2-3,6,8,10,17-19H,4-5,7,9H2,1H3.
What are the key properties of 3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol?
3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 294.78 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106100191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).