2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine

C13H17ClN2 — CID 67808042

IUPAC2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine
SMILESCc1[nH]c2ccc(Cl)cc2c1C(C)(C)CN
InChIInChI=1S/C13H17ClN2/c1-8-12(13(2,3)7-15)10-6-9(14)4-5-11(10)16-8/h4-6,16H,7,15H2,1-3H3
InChIKeyMNTUYMGIUDZQSY-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.37
Rot. Bonds2

About 2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine

2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine (PubChem CID 67808042) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine
PubChem CID67808042
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine
SMILESCc1[nH]c2ccc(Cl)cc2c1C(C)(C)CN
InChIInChI=1S/C13H17ClN2/c1-8-12(13(2,3)7-15)10-6-9(14)4-5-11(10)16-8/h4-6,16H,7,15H2,1-3H3
InChIKeyMNTUYMGIUDZQSY-UHFFFAOYSA-N
XLogP3.37
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine (CID 67808042) is 2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine is Cc1[nH]c2ccc(Cl)cc2c1C(C)(C)CN.
What is the InChIKey of 2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine?
The InChIKey is MNTUYMGIUDZQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-8-12(13(2,3)7-15)10-6-9(14)4-5-11(10)16-8/h4-6,16H,7,15H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine?
2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine has a molecular weight of 236.75 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 67808042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).