3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine

C13H17ClN2 — CID 83868277

IUPAC3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine
SMILESCc1c(CC(C)CN)[nH]c2c(Cl)cccc12
InChIInChI=1S/C13H17ClN2/c1-8(7-15)6-12-9(2)10-4-3-5-11(14)13(10)16-12/h3-5,8,16H,6-7,15H2,1-2H3
InChIKeyUJDOHQFOPHJHLC-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.27
Rot. Bonds3

About 3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine

3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine (PubChem CID 83868277) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine
PubChem CID83868277
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine
SMILESCc1c(CC(C)CN)[nH]c2c(Cl)cccc12
InChIInChI=1S/C13H17ClN2/c1-8(7-15)6-12-9(2)10-4-3-5-11(14)13(10)16-12/h3-5,8,16H,6-7,15H2,1-2H3
InChIKeyUJDOHQFOPHJHLC-UHFFFAOYSA-N
XLogP3.27
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.27
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 3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine (CID 83868277) is 3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine is Cc1c(CC(C)CN)[nH]c2c(Cl)cccc12.
What is the InChIKey of 3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine?
The InChIKey is UJDOHQFOPHJHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-8(7-15)6-12-9(2)10-4-3-5-11(14)13(10)16-12/h3-5,8,16H,6-7,15H2,1-2H3.
What are the key properties of 3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine?
3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine has a molecular weight of 236.75 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83868277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).