3-chloro-1-(2-methylpropyl)indole

C12H14ClN — CID 174585966

IUPAC3-chloro-1-(2-methylpropyl)indole
SMILESCC(C)Cn1cc(Cl)c2ccccc21
InChIInChI=1S/C12H14ClN/c1-9(2)7-14-8-11(13)10-5-3-4-6-12(10)14/h3-6,8-9H,7H2,1-2H3
InChIKeyBUUODZMYMOXNCP-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.95
Rot. Bonds2

About 3-chloro-1-(2-methylpropyl)indole

3-chloro-1-(2-methylpropyl)indole (PubChem CID 174585966) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-chloro-1-(2-methylpropyl)indole.

Molecular Properties

Compound Name3-chloro-1-(2-methylpropyl)indole
PubChem CID174585966
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name3-chloro-1-(2-methylpropyl)indole
SMILESCC(C)Cn1cc(Cl)c2ccccc21
InChIInChI=1S/C12H14ClN/c1-9(2)7-14-8-11(13)10-5-3-4-6-12(10)14/h3-6,8-9H,7H2,1-2H3
InChIKeyBUUODZMYMOXNCP-UHFFFAOYSA-N
XLogP3.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-methylpropyl)indole?
The IUPAC name of 3-chloro-1-(2-methylpropyl)indole (CID 174585966) is 3-chloro-1-(2-methylpropyl)indole.
What is the SMILES notation for 3-chloro-1-(2-methylpropyl)indole?
The canonical SMILES for 3-chloro-1-(2-methylpropyl)indole is CC(C)Cn1cc(Cl)c2ccccc21.
What is the InChIKey of 3-chloro-1-(2-methylpropyl)indole?
The InChIKey is BUUODZMYMOXNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-9(2)7-14-8-11(13)10-5-3-4-6-12(10)14/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 3-chloro-1-(2-methylpropyl)indole?
3-chloro-1-(2-methylpropyl)indole has a molecular weight of 207.70 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-methylpropyl)indole is sourced from PubChem (CID 174585966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).