4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine

C16H22N2O — CID 170870878

IUPAC4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
SMILESCc1[nH]c2ccccc2c1CCCN1CCOCC1
InChIInChI=1S/C16H22N2O/c1-13-14(15-5-2-3-7-16(15)17-13)6-4-8-18-9-11-19-12-10-18/h2-3,5,7,17H,4,6,8-12H2,1H3
InChIKeyVSZNDXCWIQDEJC-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.74
Rot. Bonds4

About 4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine

4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine (PubChem CID 170870878) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
PubChem CID170870878
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
SMILESCc1[nH]c2ccccc2c1CCCN1CCOCC1
InChIInChI=1S/C16H22N2O/c1-13-14(15-5-2-3-7-16(15)17-13)6-4-8-18-9-11-19-12-10-18/h2-3,5,7,17H,4,6,8-12H2,1H3
InChIKeyVSZNDXCWIQDEJC-UHFFFAOYSA-N
XLogP2.74
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170871001
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 15071480
4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine
CID 170871014
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile
CID 70203843
2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
CID 59921053
9H-carbazole;4-methylmorpholine
CID 175233361

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine?
The IUPAC name of 4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine (CID 170870878) is 4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine is Cc1[nH]c2ccccc2c1CCCN1CCOCC1.
What is the InChIKey of 4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine?
The InChIKey is VSZNDXCWIQDEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-14(15-5-2-3-7-16(15)17-13)6-4-8-18-9-11-19-12-10-18/h2-3,5,7,17H,4,6,8-12H2,1H3.
What are the key properties of 4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine?
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine has a molecular weight of 258.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine is sourced from PubChem (CID 170870878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).