(7-chloro-3-ethyl-1H-indol-2-yl)methanamine

C11H13ClN2 — CID 84621210

IUPAC(7-chloro-3-ethyl-1H-indol-2-yl)methanamine
SMILESCCc1c(CN)[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H13ClN2/c1-2-7-8-4-3-5-9(12)11(8)14-10(7)6-13/h3-5,14H,2,6,13H2,1H3
InChIKeyWZRPIMYOFXHGCG-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.84
Rot. Bonds2

About (7-chloro-3-ethyl-1H-indol-2-yl)methanamine

(7-chloro-3-ethyl-1H-indol-2-yl)methanamine (PubChem CID 84621210) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is (7-chloro-3-ethyl-1H-indol-2-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-3-ethyl-1H-indol-2-yl)methanamine
PubChem CID84621210
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name(7-chloro-3-ethyl-1H-indol-2-yl)methanamine
SMILESCCc1c(CN)[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H13ClN2/c1-2-7-8-4-3-5-9(12)11(8)14-10(7)6-13/h3-5,14H,2,6,13H2,1H3
InChIKeyWZRPIMYOFXHGCG-UHFFFAOYSA-N
XLogP2.84
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-3-ethyl-1H-indol-2-yl)methanamine?
The IUPAC name of (7-chloro-3-ethyl-1H-indol-2-yl)methanamine (CID 84621210) is (7-chloro-3-ethyl-1H-indol-2-yl)methanamine.
What is the SMILES notation for (7-chloro-3-ethyl-1H-indol-2-yl)methanamine?
The canonical SMILES for (7-chloro-3-ethyl-1H-indol-2-yl)methanamine is CCc1c(CN)[nH]c2c(Cl)cccc12.
What is the InChIKey of (7-chloro-3-ethyl-1H-indol-2-yl)methanamine?
The InChIKey is WZRPIMYOFXHGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-2-7-8-4-3-5-9(12)11(8)14-10(7)6-13/h3-5,14H,2,6,13H2,1H3.
What are the key properties of (7-chloro-3-ethyl-1H-indol-2-yl)methanamine?
(7-chloro-3-ethyl-1H-indol-2-yl)methanamine has a molecular weight of 208.69 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3-ethyl-1H-indol-2-yl)methanamine is sourced from PubChem (CID 84621210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).