6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol

C16H25N3O2 — CID 70741610

IUPAC6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol
SMILESOC1(CNCCN2CCc3ccccc32)CNCCOC1
InChIInChI=1S/C16H25N3O2/c20-16(12-18-7-10-21-13-16)11-17-6-9-19-8-5-14-3-1-2-4-15(14)19/h1-4,17-18,20H,5-13H2
InChIKeyPIOZUANTJCNPNC-UHFFFAOYSA-N
MW291.39 g/mol
LogP-0.01
Rot. Bonds5

About 6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol

6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol (PubChem CID 70741610) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol
PubChem CID70741610
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol
SMILESOC1(CNCCN2CCc3ccccc32)CNCCOC1
InChIInChI=1S/C16H25N3O2/c20-16(12-18-7-10-21-13-16)11-17-6-9-19-8-5-14-3-1-2-4-15(14)19/h1-4,17-18,20H,5-13H2
InChIKeyPIOZUANTJCNPNC-UHFFFAOYSA-N
XLogP-0.01
TPSA56.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-({[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]amino}methyl)-1,4-oxazepan-6-ol
CID 70722089
3-({[3-(2,3-dihydro-1H-indol-1-yl)propyl]amino}methyl)pyrrolidin-3-ol
CID 70775651
6-({4-[3-(Trifluoromethyl)phenyl]piperazin-1-YL}methyl)-1,4-oxazepan-6-OL
CID 70779441
2-[2-(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)ethoxy]ethanol
CID 75378764
1-methoxy-3-[4-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-ylamino)piperidin-1-yl]propan-2-ol
CID 121518719
(6R)-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol
CID 96406470
(6S)-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol
CID 96406471
1-[4-Fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356944
1-(6-Fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 103494888
2-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)ethanamine
CID 103497221
2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103503129
2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103503130

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol?
The IUPAC name of 6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol (CID 70741610) is 6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol.
What is the SMILES notation for 6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol?
The canonical SMILES for 6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol is OC1(CNCCN2CCc3ccccc32)CNCCOC1.
What is the InChIKey of 6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol?
The InChIKey is PIOZUANTJCNPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-16(12-18-7-10-21-13-16)11-17-6-9-19-8-5-14-3-1-2-4-15(14)19/h1-4,17-18,20H,5-13H2.
What are the key properties of 6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol?
6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol has a molecular weight of 291.39 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,3-dihydroindol-1-yl)ethylamino]methyl]-1,4-oxazepan-6-ol is sourced from PubChem (CID 70741610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).