4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole

C14H18ClN — CID 145463036

IUPAC4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole
SMILESCCCc1c(C)[nH]c2ccc(CC)c(Cl)c12
InChIInChI=1S/C14H18ClN/c1-4-6-11-9(3)16-12-8-7-10(5-2)14(15)13(11)12/h7-8,16H,4-6H2,1-3H3
InChIKeyIMFPWMGSMXGIKU-UHFFFAOYSA-N
MW235.76 g/mol
LogP4.64
Rot. Bonds3

About 4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole

4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole (PubChem CID 145463036) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole.

Molecular Properties

Compound Name4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole
PubChem CID145463036
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole
SMILESCCCc1c(C)[nH]c2ccc(CC)c(Cl)c12
InChIInChI=1S/C14H18ClN/c1-4-6-11-9(3)16-12-8-7-10(5-2)14(15)13(11)12/h7-8,16H,4-6H2,1-3H3
InChIKeyIMFPWMGSMXGIKU-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-3-propyl-1H-indole-4-carboxylic acid
CID 83964335
3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol
CID 84678039
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
4-ethyl-2-methyl-1H-indole-3-carbaldehyde
CID 88756486
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
2-methyl-3-propyl-1H-indole-5-sulfonic acid
CID 50887921
4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole
CID 57111657
1,3-dichloro-2,4-dipropylbenzene
CID 54410685
2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride
CID 84814114
1-chloro-2-methyl-3,4-dipropylbenzene
CID 143014391
2,6-dichloro-3-ethylbenzaldehyde
CID 86691282
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole?
The IUPAC name of 4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole (CID 145463036) is 4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole.
What is the SMILES notation for 4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole?
The canonical SMILES for 4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole is CCCc1c(C)[nH]c2ccc(CC)c(Cl)c12.
What is the InChIKey of 4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole?
The InChIKey is IMFPWMGSMXGIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-4-6-11-9(3)16-12-8-7-10(5-2)14(15)13(11)12/h7-8,16H,4-6H2,1-3H3.
What are the key properties of 4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole?
4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole has a molecular weight of 235.76 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole is sourced from PubChem (CID 145463036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).