2-(6,7-dichloro-3-methylindol-1-yl)ethanamine

C11H12Cl2N2 — CID 83948496

IUPAC2-(6,7-dichloro-3-methylindol-1-yl)ethanamine
SMILESCc1cn(CCN)c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C11H12Cl2N2/c1-7-6-15(5-4-14)11-8(7)2-3-9(12)10(11)13/h2-3,6H,4-5,14H2,1H3
InChIKeyHZMAMFMYWSQYEN-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.22
Rot. Bonds2

About 2-(6,7-dichloro-3-methylindol-1-yl)ethanamine

2-(6,7-dichloro-3-methylindol-1-yl)ethanamine (PubChem CID 83948496) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-(6,7-dichloro-3-methylindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6,7-dichloro-3-methylindol-1-yl)ethanamine
PubChem CID83948496
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name2-(6,7-dichloro-3-methylindol-1-yl)ethanamine
SMILESCc1cn(CCN)c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C11H12Cl2N2/c1-7-6-15(5-4-14)11-8(7)2-3-9(12)10(11)13/h2-3,6H,4-5,14H2,1H3
InChIKeyHZMAMFMYWSQYEN-UHFFFAOYSA-N
XLogP3.22
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol
CID 83944807
2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine
CID 83948501
1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol
CID 83944817
2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine
CID 83948657
(6,7-dichloro-1,3-dimethylindol-2-yl)methanamine
CID 83868326
2-(6,7-dichloroindol-1-yl)ethanamine
CID 83948495
3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
CID 11843022
6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde
CID 83947534
methyl 6,7-dichloro-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947544
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
2-(6,7-dichloro-1-methylindol-3-yl)acetic acid
CID 83944788
3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 83948634

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-3-methylindol-1-yl)ethanamine?
The IUPAC name of 2-(6,7-dichloro-3-methylindol-1-yl)ethanamine (CID 83948496) is 2-(6,7-dichloro-3-methylindol-1-yl)ethanamine.
What is the SMILES notation for 2-(6,7-dichloro-3-methylindol-1-yl)ethanamine?
The canonical SMILES for 2-(6,7-dichloro-3-methylindol-1-yl)ethanamine is Cc1cn(CCN)c2c(Cl)c(Cl)ccc12.
What is the InChIKey of 2-(6,7-dichloro-3-methylindol-1-yl)ethanamine?
The InChIKey is HZMAMFMYWSQYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-7-6-15(5-4-14)11-8(7)2-3-9(12)10(11)13/h2-3,6H,4-5,14H2,1H3.
What are the key properties of 2-(6,7-dichloro-3-methylindol-1-yl)ethanamine?
2-(6,7-dichloro-3-methylindol-1-yl)ethanamine has a molecular weight of 243.14 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloro-3-methylindol-1-yl)ethanamine is sourced from PubChem (CID 83948496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).