5-chloro-7-methyl-3-propyl-1H-indole

C12H14ClN — CID 91802279

IUPAC5-chloro-7-methyl-3-propyl-1H-indole
SMILESCCCc1c[nH]c2c(C)cc(Cl)cc12
InChIInChI=1S/C12H14ClN/c1-3-4-9-7-14-12-8(2)5-10(13)6-11(9)12/h5-7,14H,3-4H2,1-2H3
InChIKeyUWKAMNDZAAVPFV-UHFFFAOYSA-N
MW207.70 g/mol
LogP4.08
Rot. Bonds2

About 5-chloro-7-methyl-3-propyl-1H-indole

5-chloro-7-methyl-3-propyl-1H-indole (PubChem CID 91802279) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 5-chloro-7-methyl-3-propyl-1H-indole.

Molecular Properties

Compound Name5-chloro-7-methyl-3-propyl-1H-indole
PubChem CID91802279
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name5-chloro-7-methyl-3-propyl-1H-indole
SMILESCCCc1c[nH]c2c(C)cc(Cl)cc12
InChIInChI=1S/C12H14ClN/c1-3-4-9-7-14-12-8(2)5-10(13)6-11(9)12/h5-7,14H,3-4H2,1-2H3
InChIKeyUWKAMNDZAAVPFV-UHFFFAOYSA-N
XLogP4.08
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(5-chloro-7-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 18702284
5,7-dichloro-3-octyl-1H-indole
CID 106984988
5,7-dimethyl-3-propyl-1H-indol-4-amine
CID 170263287
3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole
CID 168941671
5-methyl-7-(3-methylbut-2-enyl)-3-propyl-1H-indole
CID 170014005
5,7-dimethyl-3-(2-methylpentyl)-1H-indole
CID 106985356
N,N-diethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)ethanamine
CID 168946783
5-ethyl-3-propyl-1H-indole-7-carboxylic acid
CID 83946544
3-(2-aminoethyl)-N-methyl-7-propyl-1H-indol-5-amine
CID 18702285
1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490831
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494846

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-3-propyl-1H-indole?
The IUPAC name of 5-chloro-7-methyl-3-propyl-1H-indole (CID 91802279) is 5-chloro-7-methyl-3-propyl-1H-indole.
What is the SMILES notation for 5-chloro-7-methyl-3-propyl-1H-indole?
The canonical SMILES for 5-chloro-7-methyl-3-propyl-1H-indole is CCCc1c[nH]c2c(C)cc(Cl)cc12.
What is the InChIKey of 5-chloro-7-methyl-3-propyl-1H-indole?
The InChIKey is UWKAMNDZAAVPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-3-4-9-7-14-12-8(2)5-10(13)6-11(9)12/h5-7,14H,3-4H2,1-2H3.
What are the key properties of 5-chloro-7-methyl-3-propyl-1H-indole?
5-chloro-7-methyl-3-propyl-1H-indole has a molecular weight of 207.70 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-3-propyl-1H-indole is sourced from PubChem (CID 91802279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).