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

C15H18BrClN2O — CID 170870966

IUPAC4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine
SMILESClc1[nH]c2ccc(Br)cc2c1CCCN1CCOCC1
InChIInChI=1S/C15H18BrClN2O/c16-11-3-4-14-13(10-11)12(15(17)18-14)2-1-5-19-6-8-20-9-7-19/h3-4,10,18H,1-2,5-9H2
InChIKeyZXIYVMJIHLKRIE-UHFFFAOYSA-N
MW357.68 g/mol
LogP3.85
Rot. Bonds4

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

4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine (PubChem CID 170870966) has the molecular formula C15H18BrClN2O and a molecular weight of 357.68 g/mol. Its IUPAC name is 4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine
PubChem CID170870966
Molecular FormulaC15H18BrClN2O
Molecular Weight357.68 g/mol
Exact Mass356.03
IUPAC Name4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine
SMILESClc1[nH]c2ccc(Br)cc2c1CCCN1CCOCC1
InChIInChI=1S/C15H18BrClN2O/c16-11-3-4-14-13(10-11)12(15(17)18-14)2-1-5-19-6-8-20-9-7-19/h3-4,10,18H,1-2,5-9H2
InChIKeyZXIYVMJIHLKRIE-UHFFFAOYSA-N
XLogP3.85
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170871001
4-[3-(4-bromo-2-methylphenyl)propyl]morpholine
CID 170870052
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
CID 170869222
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine
CID 170871352
3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine
CID 170871014
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine
CID 170870855

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine?
The IUPAC name of 4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine (CID 170870966) is 4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine is Clc1[nH]c2ccc(Br)cc2c1CCCN1CCOCC1.
What is the InChIKey of 4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine?
The InChIKey is ZXIYVMJIHLKRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O/c16-11-3-4-14-13(10-11)12(15(17)18-14)2-1-5-19-6-8-20-9-7-19/h3-4,10,18H,1-2,5-9H2.
What are the key properties of 4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine?
4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine has a molecular weight of 357.68 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine is sourced from PubChem (CID 170870966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).