(6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine

C10H10Cl2N2 — CID 83868248

IUPAC(6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine
SMILESCc1c(CN)[nH]c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C10H10Cl2N2/c1-5-6-2-3-7(11)9(12)10(6)14-8(5)4-13/h2-3,14H,4,13H2,1H3
InChIKeyKFEYGLITYINPMQ-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.24
Rot. Bonds1

About (6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine

(6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine (PubChem CID 83868248) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is (6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine.

Molecular Properties

Compound Name(6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine
PubChem CID83868248
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name(6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine
SMILESCc1c(CN)[nH]c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C10H10Cl2N2/c1-5-6-2-3-7(11)9(12)10(6)14-8(5)4-13/h2-3,14H,4,13H2,1H3
InChIKeyKFEYGLITYINPMQ-UHFFFAOYSA-N
XLogP3.24
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.24
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 (6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine?
The IUPAC name of (6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine (CID 83868248) is (6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine.
What is the SMILES notation for (6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine?
The canonical SMILES for (6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine is Cc1c(CN)[nH]c2c(Cl)c(Cl)ccc12.
What is the InChIKey of (6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine?
The InChIKey is KFEYGLITYINPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c1-5-6-2-3-7(11)9(12)10(6)14-8(5)4-13/h2-3,14H,4,13H2,1H3.
What are the key properties of (6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine?
(6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine has a molecular weight of 229.11 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dichloro-3-methyl-1H-indol-2-yl)methanamine is sourced from PubChem (CID 83868248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).