5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole

C16H20ClNO — CID 171731942

IUPAC5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2cc(Cl)c(OCCC3CC3)cc2[nH]1
InChIInChI=1S/C16H20ClNO/c1-10(2)14-8-12-7-13(17)16(9-15(12)18-14)19-6-5-11-3-4-11/h7-11,18H,3-6H2,1-2H3
InChIKeyKOZYKLTUEGEKRM-UHFFFAOYSA-N
MW277.80 g/mol
LogP5.12
Rot. Bonds5

About 5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole

5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole (PubChem CID 171731942) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole
PubChem CID171731942
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2cc(Cl)c(OCCC3CC3)cc2[nH]1
InChIInChI=1S/C16H20ClNO/c1-10(2)14-8-12-7-13(17)16(9-15(12)18-14)19-6-5-11-3-4-11/h7-11,18H,3-6H2,1-2H3
InChIKeyKOZYKLTUEGEKRM-UHFFFAOYSA-N
XLogP5.12
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.80
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole
CID 171518200
5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole
CID 171731898
5-chloro-6-(1,4-dioxan-2-ylmethoxy)-2-propan-2-yl-1H-indole
CID 171731919
5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole
CID 171519213
5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole
CID 171731967
6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one
CID 154591424
N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519626
4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole
CID 171519301
4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine
CID 56830089
2-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 171731846
5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole
CID 176926248
4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine
CID 106201356

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole?
The IUPAC name of 5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole (CID 171731942) is 5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole.
What is the SMILES notation for 5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole?
The canonical SMILES for 5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole is CC(C)c1cc2cc(Cl)c(OCCC3CC3)cc2[nH]1.
What is the InChIKey of 5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole?
The InChIKey is KOZYKLTUEGEKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-10(2)14-8-12-7-13(17)16(9-15(12)18-14)19-6-5-11-3-4-11/h7-11,18H,3-6H2,1-2H3.
What are the key properties of 5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole?
5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole has a molecular weight of 277.80 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole is sourced from PubChem (CID 171731942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).