4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine

C16H22N2O2 — CID 143477148

IUPAC4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine
SMILESCC1C=Nc2ccc(OCCCN3CCOCC3)cc21
InChIInChI=1S/C16H22N2O2/c1-13-12-17-16-4-3-14(11-15(13)16)20-8-2-5-18-6-9-19-10-7-18/h3-4,11-13H,2,5-10H2,1H3
InChIKeyFADFDJSKQNPSAD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.61
Rot. Bonds5

About 4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine

4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine (PubChem CID 143477148) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine
PubChem CID143477148
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine
SMILESCC1C=Nc2ccc(OCCCN3CCOCC3)cc21
InChIInChI=1S/C16H22N2O2/c1-13-12-17-16-4-3-14(11-15(13)16)20-8-2-5-18-6-9-19-10-7-18/h3-4,11-13H,2,5-10H2,1H3
InChIKeyFADFDJSKQNPSAD-UHFFFAOYSA-N
XLogP2.61
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
CID 67361956
4-[3-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxypropyl]morpholine;hydrochloride
CID 22641400
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine
CID 11561136
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine?
The IUPAC name of 4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine (CID 143477148) is 4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine is CC1C=Nc2ccc(OCCCN3CCOCC3)cc21.
What is the InChIKey of 4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine?
The InChIKey is FADFDJSKQNPSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-12-17-16-4-3-14(11-15(13)16)20-8-2-5-18-6-9-19-10-7-18/h3-4,11-13H,2,5-10H2,1H3.
What are the key properties of 4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine?
4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine has a molecular weight of 274.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine is sourced from PubChem (CID 143477148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).