2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine

C11H13ClN2 — CID 28806617

IUPAC2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2cc(Cl)ccc2c1CCN
InChIInChI=1S/C11H13ClN2/c1-7-9(4-5-13)10-3-2-8(12)6-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3
InChIKeyMWCYFKKXSGMXSL-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.63
Rot. Bonds2

About 2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine

2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 28806617) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
PubChem CID28806617
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2cc(Cl)ccc2c1CCN
InChIInChI=1S/C11H13ClN2/c1-7-9(4-5-13)10-3-2-8(12)6-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3
InChIKeyMWCYFKKXSGMXSL-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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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Related Compounds

2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine
CID 84670916
2-(6-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496918
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 3436060
2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82499289
(2,6-dimethyl-1H-indol-3-yl)methanamine
CID 82411351
(7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate
CID 609460
2-(6-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
CID 105472777
3-(2-aminoethyl)-2,5-dimethyl-1H-indole-6-carboxylic acid
CID 83964250
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893
2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
CID 1381973
6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole
CID 58957271

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine (CID 28806617) is 2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine is Cc1[nH]c2cc(Cl)ccc2c1CCN.
What is the InChIKey of 2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is MWCYFKKXSGMXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-7-9(4-5-13)10-3-2-8(12)6-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3.
What are the key properties of 2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine?
2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 208.69 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 28806617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).