4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine

C17H24N2O — CID 156561449

IUPAC4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine
SMILESCc1c(C)n(C(C)C)c2ccc(N3CCOCC3)cc12
InChIInChI=1S/C17H24N2O/c1-12(2)19-14(4)13(3)16-11-15(5-6-17(16)19)18-7-9-20-10-8-18/h5-6,11-12H,7-10H2,1-4H3
InChIKeyHZGPXGMGOCEYGC-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.68
Rot. Bonds2

About 4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine

4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine (PubChem CID 156561449) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine.

Molecular Properties

Compound Name4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine
PubChem CID156561449
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine
SMILESCc1c(C)n(C(C)C)c2ccc(N3CCOCC3)cc12
InChIInChI=1S/C17H24N2O/c1-12(2)19-14(4)13(3)16-11-15(5-6-17(16)19)18-7-9-20-10-8-18/h5-6,11-12H,7-10H2,1-4H3
InChIKeyHZGPXGMGOCEYGC-UHFFFAOYSA-N
XLogP3.68
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10519968
4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
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4-(1-butyl-2-methylindol-5-yl)morpholine
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4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
(2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium
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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine?
The IUPAC name of 4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine (CID 156561449) is 4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine.
What is the SMILES notation for 4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine?
The canonical SMILES for 4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine is Cc1c(C)n(C(C)C)c2ccc(N3CCOCC3)cc12.
What is the InChIKey of 4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine?
The InChIKey is HZGPXGMGOCEYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)19-14(4)13(3)16-11-15(5-6-17(16)19)18-7-9-20-10-8-18/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine?
4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine has a molecular weight of 272.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-1-propan-2-ylindol-5-yl)morpholine is sourced from PubChem (CID 156561449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).