1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one

C15H19ClN2O — CID 162765541

IUPAC1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one
SMILESCCNC(CC)C(=O)c1cn(C)c2ccc(Cl)cc12
InChIInChI=1S/C15H19ClN2O/c1-4-13(17-5-2)15(19)12-9-18(3)14-7-6-10(16)8-11(12)14/h6-9,13,17H,4-5H2,1-3H3
InChIKeyIUBFOWMQUUQACA-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.40
Rot. Bonds5

About 1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one

1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one (PubChem CID 162765541) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one.

Molecular Properties

Compound Name1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one
PubChem CID162765541
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one
SMILESCCNC(CC)C(=O)c1cn(C)c2ccc(Cl)cc12
InChIInChI=1S/C15H19ClN2O/c1-4-13(17-5-2)15(19)12-9-18(3)14-7-6-10(16)8-11(12)14/h6-9,13,17H,4-5H2,1-3H3
InChIKeyIUBFOWMQUUQACA-UHFFFAOYSA-N
XLogP3.40
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765617
2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one
CID 162765495
2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one
CID 162765604
2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one
CID 82288926
1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride
CID 169436410
5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde
CID 160716465
(Z)-but-2-ene;4-(5-chloro-1-methylindol-3-yl)-4-oxobutanoic acid
CID 143232166
6-bromo-1-(5-chloro-1-methylindol-3-yl)hexan-1-one
CID 54113253
1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one
CID 82278783
2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one
CID 162765497
ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate
CID 115073226
4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide
CID 167530599

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one?
The IUPAC name of 1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one (CID 162765541) is 1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one.
What is the SMILES notation for 1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one?
The canonical SMILES for 1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one is CCNC(CC)C(=O)c1cn(C)c2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one?
The InChIKey is IUBFOWMQUUQACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-4-13(17-5-2)15(19)12-9-18(3)14-7-6-10(16)8-11(12)14/h6-9,13,17H,4-5H2,1-3H3.
What are the key properties of 1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one?
1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one has a molecular weight of 278.78 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one is sourced from PubChem (CID 162765541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).