2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine

C16H20Cl2N2O — CID 103428431

IUPAC2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(Cn2ccc3c(Cl)cc(Cl)cc32)C1
InChIInChI=1S/C16H20Cl2N2O/c1-11(2)19-5-6-21-13(9-19)10-20-4-3-14-15(18)7-12(17)8-16(14)20/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3
InChIKeyDCMFDNZIDBBCPY-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.06
Rot. Bonds3

About 2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine

2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine (PubChem CID 103428431) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine
PubChem CID103428431
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.26 g/mol
Exact Mass326.10
IUPAC Name2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(Cn2ccc3c(Cl)cc(Cl)cc32)C1
InChIInChI=1S/C16H20Cl2N2O/c1-11(2)19-5-6-21-13(9-19)10-20-4-3-14-15(18)7-12(17)8-16(14)20/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3
InChIKeyDCMFDNZIDBBCPY-UHFFFAOYSA-N
XLogP4.06
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine with MolForge

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Related Compounds

[1-[(4-propan-2-ylmorpholin-2-yl)methyl]indol-4-yl]methanamine
CID 64532953
2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 116622956
3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid
CID 102604816
4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
CID 103428444
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64533566
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde
CID 66407258
N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79108697
2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 64534558
2-(2,4-dichlorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535306
5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583244
6-chloro-5-methoxy-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114585446
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
CID 79104478

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine (CID 103428431) is 2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(Cn2ccc3c(Cl)cc(Cl)cc32)C1.
What is the InChIKey of 2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine?
The InChIKey is DCMFDNZIDBBCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-11(2)19-5-6-21-13(9-19)10-20-4-3-14-15(18)7-12(17)8-16(14)20/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3.
What are the key properties of 2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine?
2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine has a molecular weight of 327.26 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 103428431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).