2-(6-chloro-1-methylindol-3-yl)propan-1-amine

C12H15ClN2 — CID 82494528

IUPAC2-(6-chloro-1-methylindol-3-yl)propan-1-amine
SMILESCC(CN)c1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C12H15ClN2/c1-8(6-14)11-7-15(2)12-5-9(13)3-4-10(11)12/h3-5,7-8H,6,14H2,1-2H3
InChIKeyZBNDCUHUTXLECO-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.89
Rot. Bonds2

About 2-(6-chloro-1-methylindol-3-yl)propan-1-amine

2-(6-chloro-1-methylindol-3-yl)propan-1-amine (PubChem CID 82494528) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-chloro-1-methylindol-3-yl)propan-1-amine
PubChem CID82494528
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-(6-chloro-1-methylindol-3-yl)propan-1-amine
SMILESCC(CN)c1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C12H15ClN2/c1-8(6-14)11-7-15(2)12-5-9(13)3-4-10(11)12/h3-5,7-8H,6,14H2,1-2H3
InChIKeyZBNDCUHUTXLECO-UHFFFAOYSA-N
XLogP2.89
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine
CID 83976836
2-(5-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117121064
2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine
CID 84628715
2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine
CID 82497727
2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 83976850
O-[(6-chloro-1-methylindol-3-yl)methyl]hydroxylamine
CID 117196287
ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate
CID 11708776
6-chloro-1-methyl-3-(methylsulfanylmethyl)indole
CID 117178628
1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine
CID 96900180
1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82499412

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindol-3-yl)propan-1-amine?
The IUPAC name of 2-(6-chloro-1-methylindol-3-yl)propan-1-amine (CID 82494528) is 2-(6-chloro-1-methylindol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(6-chloro-1-methylindol-3-yl)propan-1-amine?
The canonical SMILES for 2-(6-chloro-1-methylindol-3-yl)propan-1-amine is CC(CN)c1cn(C)c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1-methylindol-3-yl)propan-1-amine?
The InChIKey is ZBNDCUHUTXLECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8(6-14)11-7-15(2)12-5-9(13)3-4-10(11)12/h3-5,7-8H,6,14H2,1-2H3.
What are the key properties of 2-(6-chloro-1-methylindol-3-yl)propan-1-amine?
2-(6-chloro-1-methylindol-3-yl)propan-1-amine has a molecular weight of 222.72 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylindol-3-yl)propan-1-amine is sourced from PubChem (CID 82494528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).