4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine

C16H21ClN2O — CID 170871001

IUPAC4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine
SMILESCc1[nH]c2ccc(Cl)cc2c1CCCN1CCOCC1
InChIInChI=1S/C16H21ClN2O/c1-12-14(3-2-6-19-7-9-20-10-8-19)15-11-13(17)4-5-16(15)18-12/h4-5,11,18H,2-3,6-10H2,1H3
InChIKeyOOLGZHOJSRNSQD-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.39
Rot. Bonds4

About 4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine

4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine (PubChem CID 170871001) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine
PubChem CID170871001
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine
SMILESCc1[nH]c2ccc(Cl)cc2c1CCCN1CCOCC1
InChIInChI=1S/C16H21ClN2O/c1-12-14(3-2-6-19-7-9-20-10-8-19)15-11-13(17)4-5-16(15)18-12/h4-5,11,18H,2-3,6-10H2,1H3
InChIKeyOOLGZHOJSRNSQD-UHFFFAOYSA-N
XLogP3.39
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one
CID 730781
4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine
CID 170870966
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine
CID 170871014
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 113086044
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
CID 113086047
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
CID 113086048
5-chloro-2-methyl-3-[2-[4-(oxolan-3-yl)triazol-1-yl]ethyl]-1H-indole
CID 72857150
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 113211930
(3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 124852403

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine?
The IUPAC name of 4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine (CID 170871001) is 4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine is Cc1[nH]c2ccc(Cl)cc2c1CCCN1CCOCC1.
What is the InChIKey of 4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine?
The InChIKey is OOLGZHOJSRNSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-12-14(3-2-6-19-7-9-20-10-8-19)15-11-13(17)4-5-16(15)18-12/h4-5,11,18H,2-3,6-10H2,1H3.
What are the key properties of 4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine?
4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine has a molecular weight of 292.81 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine is sourced from PubChem (CID 170871001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).