2-(5-chloro-7-methylindol-1-yl)ethanamine

C11H13ClN2 — CID 130281365

IUPAC2-(5-chloro-7-methylindol-1-yl)ethanamine
SMILESCc1cc(Cl)cc2ccn(CCN)c12
InChIInChI=1S/C11H13ClN2/c1-8-6-10(12)7-9-2-4-14(5-3-13)11(8)9/h2,4,6-7H,3,5,13H2,1H3
InChIKeyDPMOOGDHYBOCAE-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.56
Rot. Bonds2

About 2-(5-chloro-7-methylindol-1-yl)ethanamine

2-(5-chloro-7-methylindol-1-yl)ethanamine (PubChem CID 130281365) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(5-chloro-7-methylindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-7-methylindol-1-yl)ethanamine
PubChem CID130281365
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-(5-chloro-7-methylindol-1-yl)ethanamine
SMILESCc1cc(Cl)cc2ccn(CCN)c12
InChIInChI=1S/C11H13ClN2/c1-8-6-10(12)7-9-2-4-14(5-3-13)11(8)9/h2,4,6-7H,3,5,13H2,1H3
InChIKeyDPMOOGDHYBOCAE-UHFFFAOYSA-N
XLogP2.56
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7-methylindol-1-yl)ethanamine?
The IUPAC name of 2-(5-chloro-7-methylindol-1-yl)ethanamine (CID 130281365) is 2-(5-chloro-7-methylindol-1-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-7-methylindol-1-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-7-methylindol-1-yl)ethanamine is Cc1cc(Cl)cc2ccn(CCN)c12.
What is the InChIKey of 2-(5-chloro-7-methylindol-1-yl)ethanamine?
The InChIKey is DPMOOGDHYBOCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-8-6-10(12)7-9-2-4-14(5-3-13)11(8)9/h2,4,6-7H,3,5,13H2,1H3.
What are the key properties of 2-(5-chloro-7-methylindol-1-yl)ethanamine?
2-(5-chloro-7-methylindol-1-yl)ethanamine has a molecular weight of 208.69 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7-methylindol-1-yl)ethanamine is sourced from PubChem (CID 130281365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).