4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine

C15H19ClN2O — CID 66764740

IUPAC4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine
SMILESCc1cc2cc(Cl)ccc2n1CCN1CCOCC1
InChIInChI=1S/C15H19ClN2O/c1-12-10-13-11-14(16)2-3-15(13)18(12)5-4-17-6-8-19-9-7-17/h2-3,10-11H,4-9H2,1H3
InChIKeyAPOJTIXTGYUYIB-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.94
Rot. Bonds3

About 4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine

4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine (PubChem CID 66764740) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine
PubChem CID66764740
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine
SMILESCc1cc2cc(Cl)ccc2n1CCN1CCOCC1
InChIInChI=1S/C15H19ClN2O/c1-12-10-13-11-14(16)2-3-15(13)18(12)5-4-17-6-8-19-9-7-17/h2-3,10-11H,4-9H2,1H3
InChIKeyAPOJTIXTGYUYIB-UHFFFAOYSA-N
XLogP2.94
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine (CID 66764740) is 4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine is Cc1cc2cc(Cl)ccc2n1CCN1CCOCC1.
What is the InChIKey of 4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine?
The InChIKey is APOJTIXTGYUYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-12-10-13-11-14(16)2-3-15(13)18(12)5-4-17-6-8-19-9-7-17/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine?
4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine has a molecular weight of 278.78 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine is sourced from PubChem (CID 66764740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).