2-(3-chloro-1-methylindol-5-yl)morpholine

C13H15ClN2O — CID 117380161

IUPAC2-(3-chloro-1-methylindol-5-yl)morpholine
SMILESCn1cc(Cl)c2cc(C3CNCCO3)ccc21
InChIInChI=1S/C13H15ClN2O/c1-16-8-11(14)10-6-9(2-3-12(10)16)13-7-15-4-5-17-13/h2-3,6,8,13,15H,4-5,7H2,1H3
InChIKeyQMQHHTFFVBEFOC-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.49
Rot. Bonds1

About 2-(3-chloro-1-methylindol-5-yl)morpholine

2-(3-chloro-1-methylindol-5-yl)morpholine (PubChem CID 117380161) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(3-chloro-1-methylindol-5-yl)morpholine.

Molecular Properties

Compound Name2-(3-chloro-1-methylindol-5-yl)morpholine
PubChem CID117380161
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-(3-chloro-1-methylindol-5-yl)morpholine
SMILESCn1cc(Cl)c2cc(C3CNCCO3)ccc21
InChIInChI=1S/C13H15ClN2O/c1-16-8-11(14)10-6-9(2-3-12(10)16)13-7-15-4-5-17-13/h2-3,6,8,13,15H,4-5,7H2,1H3
InChIKeyQMQHHTFFVBEFOC-UHFFFAOYSA-N
XLogP2.49
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-1-methylindazol-5-yl)morpholine
CID 117382717
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine
CID 117454632
2-(1-methylpyrrol-3-yl)morpholine
CID 82280335
2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine
CID 117432500
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine
CID 117478225
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
ethane;2-(1-methylpyrazol-4-yl)morpholine
CID 177151428
2-(3-chloro-4-fluorophenyl)-1,4-oxazepane
CID 43498384

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-methylindol-5-yl)morpholine?
The IUPAC name of 2-(3-chloro-1-methylindol-5-yl)morpholine (CID 117380161) is 2-(3-chloro-1-methylindol-5-yl)morpholine.
What is the SMILES notation for 2-(3-chloro-1-methylindol-5-yl)morpholine?
The canonical SMILES for 2-(3-chloro-1-methylindol-5-yl)morpholine is Cn1cc(Cl)c2cc(C3CNCCO3)ccc21.
What is the InChIKey of 2-(3-chloro-1-methylindol-5-yl)morpholine?
The InChIKey is QMQHHTFFVBEFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-16-8-11(14)10-6-9(2-3-12(10)16)13-7-15-4-5-17-13/h2-3,6,8,13,15H,4-5,7H2,1H3.
What are the key properties of 2-(3-chloro-1-methylindol-5-yl)morpholine?
2-(3-chloro-1-methylindol-5-yl)morpholine has a molecular weight of 250.73 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-methylindol-5-yl)morpholine is sourced from PubChem (CID 117380161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).