(6-chloro-1,3-dimethylindol-2-yl)methanamine

C11H13ClN2 — CID 84621214

IUPAC(6-chloro-1,3-dimethylindol-2-yl)methanamine
SMILESCc1c(CN)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C11H13ClN2/c1-7-9-4-3-8(12)5-10(9)14(2)11(7)6-13/h3-5H,6,13H2,1-2H3
InChIKeyRFYRUMYEGSIVAH-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.60
Rot. Bonds1

About (6-chloro-1,3-dimethylindol-2-yl)methanamine

(6-chloro-1,3-dimethylindol-2-yl)methanamine (PubChem CID 84621214) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is (6-chloro-1,3-dimethylindol-2-yl)methanamine.

Molecular Properties

Compound Name(6-chloro-1,3-dimethylindol-2-yl)methanamine
PubChem CID84621214
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name(6-chloro-1,3-dimethylindol-2-yl)methanamine
SMILESCc1c(CN)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C11H13ClN2/c1-7-9-4-3-8(12)5-10(9)14(2)11(7)6-13/h3-5H,6,13H2,1-2H3
InChIKeyRFYRUMYEGSIVAH-UHFFFAOYSA-N
XLogP2.60
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-1,3-dimethylindole
CID 117127818
(6-chloro-1,2-dimethylindol-3-yl)methanamine
CID 82492537
2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine
CID 84628715
2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine
CID 83488858
3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine
CID 82496941
(6,7-dichloro-1,3-dimethylindol-2-yl)methanamine
CID 83868326
3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine
CID 84623642
(5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine
CID 83918924
3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
CID 84639811
1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83868331
7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84628273
1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine
CID 84643740

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,3-dimethylindol-2-yl)methanamine?
The IUPAC name of (6-chloro-1,3-dimethylindol-2-yl)methanamine (CID 84621214) is (6-chloro-1,3-dimethylindol-2-yl)methanamine.
What is the SMILES notation for (6-chloro-1,3-dimethylindol-2-yl)methanamine?
The canonical SMILES for (6-chloro-1,3-dimethylindol-2-yl)methanamine is Cc1c(CN)n(C)c2cc(Cl)ccc12.
What is the InChIKey of (6-chloro-1,3-dimethylindol-2-yl)methanamine?
The InChIKey is RFYRUMYEGSIVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-7-9-4-3-8(12)5-10(9)14(2)11(7)6-13/h3-5H,6,13H2,1-2H3.
What are the key properties of (6-chloro-1,3-dimethylindol-2-yl)methanamine?
(6-chloro-1,3-dimethylindol-2-yl)methanamine has a molecular weight of 208.69 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,3-dimethylindol-2-yl)methanamine is sourced from PubChem (CID 84621214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).