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

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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).