1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine

C13H17ClN2 — CID 96900180

IUPAC1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine
SMILESCn1cc(CC(C)(C)N)c2ccc(Cl)cc21
InChIInChI=1S/C13H17ClN2/c1-13(2,15)7-9-8-16(3)12-6-10(14)4-5-11(9)12/h4-6,8H,7,15H2,1-3H3
InChIKeyGKKQSUCQWCJVBI-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.11
Rot. Bonds2

About 1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine

1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine (PubChem CID 96900180) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine
PubChem CID96900180
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine
SMILESCn1cc(CC(C)(C)N)c2ccc(Cl)cc21
InChIInChI=1S/C13H17ClN2/c1-13(2,15)7-9-8-16(3)12-6-10(14)4-5-11(9)12/h4-6,8H,7,15H2,1-3H3
InChIKeyGKKQSUCQWCJVBI-UHFFFAOYSA-N
XLogP3.11
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine (CID 96900180) is 1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine is Cn1cc(CC(C)(C)N)c2ccc(Cl)cc21.
What is the InChIKey of 1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine?
The InChIKey is GKKQSUCQWCJVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-13(2,15)7-9-8-16(3)12-6-10(14)4-5-11(9)12/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine?
1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine has a molecular weight of 236.75 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 96900180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).