3-(5-chloro-1,2-dimethylindol-3-yl)morpholine

C14H17ClN2O — CID 82667099

IUPAC3-(5-chloro-1,2-dimethylindol-3-yl)morpholine
SMILESCc1c(C2COCCN2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C14H17ClN2O/c1-9-14(12-8-18-6-5-16-12)11-7-10(15)3-4-13(11)17(9)2/h3-4,7,12,16H,5-6,8H2,1-2H3
InChIKeyBFFGRZKQLJDFJH-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.80
Rot. Bonds1

About 3-(5-chloro-1,2-dimethylindol-3-yl)morpholine

3-(5-chloro-1,2-dimethylindol-3-yl)morpholine (PubChem CID 82667099) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-(5-chloro-1,2-dimethylindol-3-yl)morpholine.

Molecular Properties

Compound Name3-(5-chloro-1,2-dimethylindol-3-yl)morpholine
PubChem CID82667099
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3-(5-chloro-1,2-dimethylindol-3-yl)morpholine
SMILESCc1c(C2COCCN2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C14H17ClN2O/c1-9-14(12-8-18-6-5-16-12)11-7-10(15)3-4-13(11)17(9)2/h3-4,7,12,16H,5-6,8H2,1-2H3
InChIKeyBFFGRZKQLJDFJH-UHFFFAOYSA-N
XLogP2.80
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1,2-dimethyl-3-piperidin-2-ylindole
CID 82666551
(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
CID 171193285
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
5-chloro-2-morpholin-3-ylphenol
CID 82613253
3-(2,5-dichlorophenyl)morpholine
CID 126971180
(3R)-3-(2-chloro-3,6-difluorophenyl)morpholine
CID 97291243
(3S)-3-(2-chloro-6-methylphenyl)morpholine
CID 131168891
(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
CID 131546881
3-(2,6-dimethylphenyl)morpholine
CID 55298000
(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride
CID 171192935
(3R)-3-(2,6-dichlorophenyl)morpholine;hydrochloride
CID 171192450
3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
CID 131479210

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,2-dimethylindol-3-yl)morpholine?
The IUPAC name of 3-(5-chloro-1,2-dimethylindol-3-yl)morpholine (CID 82667099) is 3-(5-chloro-1,2-dimethylindol-3-yl)morpholine.
What is the SMILES notation for 3-(5-chloro-1,2-dimethylindol-3-yl)morpholine?
The canonical SMILES for 3-(5-chloro-1,2-dimethylindol-3-yl)morpholine is Cc1c(C2COCCN2)c2cc(Cl)ccc2n1C.
What is the InChIKey of 3-(5-chloro-1,2-dimethylindol-3-yl)morpholine?
The InChIKey is BFFGRZKQLJDFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9-14(12-8-18-6-5-16-12)11-7-10(15)3-4-13(11)17(9)2/h3-4,7,12,16H,5-6,8H2,1-2H3.
What are the key properties of 3-(5-chloro-1,2-dimethylindol-3-yl)morpholine?
3-(5-chloro-1,2-dimethylindol-3-yl)morpholine has a molecular weight of 264.76 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,2-dimethylindol-3-yl)morpholine is sourced from PubChem (CID 82667099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).