7-chloro-3-(2-methylpentan-3-yl)-1H-indole

C14H18ClN — CID 106985200

IUPAC7-chloro-3-(2-methylpentan-3-yl)-1H-indole
SMILESCCC(c1c[nH]c2c(Cl)cccc12)C(C)C
InChIInChI=1S/C14H18ClN/c1-4-10(9(2)3)12-8-16-14-11(12)6-5-7-13(14)15/h5-10,16H,4H2,1-3H3
InChIKeyHHSMDJBFFGNDCU-UHFFFAOYSA-N
MW235.76 g/mol
LogP4.97
Rot. Bonds3

About 7-chloro-3-(2-methylpentan-3-yl)-1H-indole

7-chloro-3-(2-methylpentan-3-yl)-1H-indole (PubChem CID 106985200) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 7-chloro-3-(2-methylpentan-3-yl)-1H-indole.

Molecular Properties

Compound Name7-chloro-3-(2-methylpentan-3-yl)-1H-indole
PubChem CID106985200
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name7-chloro-3-(2-methylpentan-3-yl)-1H-indole
SMILESCCC(c1c[nH]c2c(Cl)cccc12)C(C)C
InChIInChI=1S/C14H18ClN/c1-4-10(9(2)3)12-8-16-14-11(12)6-5-7-13(14)15/h5-10,16H,4H2,1-3H3
InChIKeyHHSMDJBFFGNDCU-UHFFFAOYSA-N
XLogP4.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

7-bromo-3-(2-methylpentan-3-yl)-1H-indole
CID 106985203
7-methyl-3-(2-methylpentan-3-yl)-1H-indole
CID 106985199
7-chloro-3-[1-(7-chloro-1H-indol-3-yl)ethyl]-1H-indole
CID 102233204
1-(7-chloro-1H-indol-3-yl)propan-1-amine
CID 76846666
ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073313
7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole
CID 122373983
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid
CID 135375085
3-bromo-7-chloro-1H-indole
CID 2763282
7-bromo-3-propan-2-yl-1H-indole
CID 106985591
7-chloro-3-methoxy-1H-indole
CID 119084271
7-bromo-3-pentan-2-yl-1H-indole
CID 106985623

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-methylpentan-3-yl)-1H-indole?
The IUPAC name of 7-chloro-3-(2-methylpentan-3-yl)-1H-indole (CID 106985200) is 7-chloro-3-(2-methylpentan-3-yl)-1H-indole.
What is the SMILES notation for 7-chloro-3-(2-methylpentan-3-yl)-1H-indole?
The canonical SMILES for 7-chloro-3-(2-methylpentan-3-yl)-1H-indole is CCC(c1c[nH]c2c(Cl)cccc12)C(C)C.
What is the InChIKey of 7-chloro-3-(2-methylpentan-3-yl)-1H-indole?
The InChIKey is HHSMDJBFFGNDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-4-10(9(2)3)12-8-16-14-11(12)6-5-7-13(14)15/h5-10,16H,4H2,1-3H3.
What are the key properties of 7-chloro-3-(2-methylpentan-3-yl)-1H-indole?
7-chloro-3-(2-methylpentan-3-yl)-1H-indole has a molecular weight of 235.76 g/mol, XLogP of 4.97, 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-methylpentan-3-yl)-1H-indole is sourced from PubChem (CID 106985200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).