7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole

C15H20ClN — CID 146620796

IUPAC7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
SMILESCC(C)Cc1c[nH]c2c(Cl)cc(C(C)C)cc12
InChIInChI=1S/C15H20ClN/c1-9(2)5-12-8-17-15-13(12)6-11(10(3)4)7-14(15)16/h6-10,17H,5H2,1-4H3
InChIKeyDOMOCXDKXSUFFL-UHFFFAOYSA-N
MW249.78 g/mol
LogP5.14
Rot. Bonds3

About 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole

7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole (PubChem CID 146620796) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole.

Molecular Properties

Compound Name7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
PubChem CID146620796
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
SMILESCC(C)Cc1c[nH]c2c(Cl)cc(C(C)C)cc12
InChIInChI=1S/C15H20ClN/c1-9(2)5-12-8-17-15-13(12)6-11(10(3)4)7-14(15)16/h6-10,17H,5H2,1-4H3
InChIKeyDOMOCXDKXSUFFL-UHFFFAOYSA-N
XLogP5.14
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.78
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran
CID 146620408
3-(7-chloro-3-methyl-1H-indol-5-yl)butanal
CID 117343947
2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid
CID 170356584
1,2,3-trichloro-5-propan-2-ylbenzene
CID 20811691
5,7-dichloro-3-octyl-1H-indole
CID 106984988
2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole
CID 102186147
1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene
CID 155380246
CID 175757661
CID 175757661
2-(5,7-dichloro-1H-indol-3-yl)propanoic acid
CID 14535950
5,7-dimethyl-3-(2-methylpentyl)-1H-indole
CID 106985356
1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 170893991
7-chloro-5-fluoro-3-methyl-1H-indole;ethane
CID 143713524

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole?
The IUPAC name of 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole (CID 146620796) is 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole.
What is the SMILES notation for 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole?
The canonical SMILES for 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole is CC(C)Cc1c[nH]c2c(Cl)cc(C(C)C)cc12.
What is the InChIKey of 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole?
The InChIKey is DOMOCXDKXSUFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-9(2)5-12-8-17-15-13(12)6-11(10(3)4)7-14(15)16/h6-10,17H,5H2,1-4H3.
What are the key properties of 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole?
7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole has a molecular weight of 249.78 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole is sourced from PubChem (CID 146620796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).