2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

C21H25ClN2O2 — CID 4840770

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(C(=O)N1c2ccccc2CC1C)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-15-14-17-6-4-5-7-20(17)24(15)21(25)16(2)23(3)12-13-26-19-10-8-18(22)9-11-19/h4-11,15-16H,12-14H2,1-3H3
InChIKeyIIRZJOFYZXMERQ-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.02
Rot. Bonds6

About 2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 4840770) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID4840770
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(C(=O)N1c2ccccc2CC1C)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-15-14-17-6-4-5-7-20(17)24(15)21(25)16(2)23(3)12-13-26-19-10-8-18(22)9-11-19/h4-11,15-16H,12-14H2,1-3H3
InChIKeyIIRZJOFYZXMERQ-UHFFFAOYSA-N
XLogP4.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8579429
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8579431
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 8579130
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 1002513
2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 94843290
(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 7830989
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980296
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 8904879
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 737594
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 4840770) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is CC(C(=O)N1c2ccccc2CC1C)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is IIRZJOFYZXMERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15-14-17-6-4-5-7-20(17)24(15)21(25)16(2)23(3)12-13-26-19-10-8-18(22)9-11-19/h4-11,15-16H,12-14H2,1-3H3.
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 372.90 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 4840770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).