4-chloro-2-propan-2-yl-1-propylindole

C14H18ClN — CID 154695419

IUPAC4-chloro-2-propan-2-yl-1-propylindole
SMILESCCCn1c(C(C)C)cc2c(Cl)cccc21
InChIInChI=1S/C14H18ClN/c1-4-8-16-13-7-5-6-12(15)11(13)9-14(16)10(2)3/h5-7,9-10H,4,8H2,1-3H3
InChIKeyRPMJMSMRPVZXER-UHFFFAOYSA-N
MW235.76 g/mol
LogP4.83
Rot. Bonds3

About 4-chloro-2-propan-2-yl-1-propylindole

4-chloro-2-propan-2-yl-1-propylindole (PubChem CID 154695419) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-1-propylindole.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-1-propylindole
PubChem CID154695419
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name4-chloro-2-propan-2-yl-1-propylindole
SMILESCCCn1c(C(C)C)cc2c(Cl)cccc21
InChIInChI=1S/C14H18ClN/c1-4-8-16-13-7-5-6-12(15)11(13)9-14(16)10(2)3/h5-7,9-10H,4,8H2,1-3H3
InChIKeyRPMJMSMRPVZXER-UHFFFAOYSA-N
XLogP4.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine
CID 117194509
4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole
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4-chloro-1-(2-methoxyethyl)indole-2-carboxylic acid
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4-chloro-1-ethyl-2-(methylsulfonylmethyl)indole
CID 117173788
(4-chloro-1-methylindol-2-yl)methanamine
CID 82657147
(4-chloro-1-methylindol-2-yl)methanethiol
CID 117173500
4-chloro-2-(ethoxymethyl)-1-methylindole
CID 117173476
2-methyl-5-propan-2-yl-1-propylpyrrole
CID 91672097
2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole
CID 146323553
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
CID 117174049
8-chloro-2-(2,2-dimethylpropyl)-3-propan-2-ylisoquinolin-1-one
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(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-1-propylindole?
The IUPAC name of 4-chloro-2-propan-2-yl-1-propylindole (CID 154695419) is 4-chloro-2-propan-2-yl-1-propylindole.
What is the SMILES notation for 4-chloro-2-propan-2-yl-1-propylindole?
The canonical SMILES for 4-chloro-2-propan-2-yl-1-propylindole is CCCn1c(C(C)C)cc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-2-propan-2-yl-1-propylindole?
The InChIKey is RPMJMSMRPVZXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-4-8-16-13-7-5-6-12(15)11(13)9-14(16)10(2)3/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 4-chloro-2-propan-2-yl-1-propylindole?
4-chloro-2-propan-2-yl-1-propylindole has a molecular weight of 235.76 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-1-propylindole is sourced from PubChem (CID 154695419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).