4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine

C15H18ClNOS — CID 170870855

IUPAC4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine
SMILESClc1cccc2sc(CCCN3CCOCC3)cc12
InChIInChI=1S/C15H18ClNOS/c16-14-4-1-5-15-13(14)11-12(19-15)3-2-6-17-7-9-18-10-8-17/h1,4-5,11H,2-3,6-10H2
InChIKeyPEDXTCYPOJPBAU-UHFFFAOYSA-N
MW295.83 g/mol
LogP3.82
Rot. Bonds4

About 4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine

4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine (PubChem CID 170870855) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine
PubChem CID170870855
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine
SMILESClc1cccc2sc(CCCN3CCOCC3)cc12
InChIInChI=1S/C15H18ClNOS/c16-14-4-1-5-15-13(14)11-12(19-15)3-2-6-17-7-9-18-10-8-17/h1,4-5,11H,2-3,6-10H2
InChIKeyPEDXTCYPOJPBAU-UHFFFAOYSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480
4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine
CID 170870860
4-[3-[3-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869982
4-[3-[4-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869885
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-(4-methylthiophen-2-yl)propyl]morpholine
CID 170871201
2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid
CID 117172959
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3142178
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
4-[3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870417
4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine
CID 170870966

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine?
The IUPAC name of 4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine (CID 170870855) is 4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine is Clc1cccc2sc(CCCN3CCOCC3)cc12.
What is the InChIKey of 4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine?
The InChIKey is PEDXTCYPOJPBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c16-14-4-1-5-15-13(14)11-12(19-15)3-2-6-17-7-9-18-10-8-17/h1,4-5,11H,2-3,6-10H2.
What are the key properties of 4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine?
4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine has a molecular weight of 295.83 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine is sourced from PubChem (CID 170870855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).