1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine

C13H17ClN2 — CID 96594111

IUPAC1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine
SMILESCc1ccc(Cl)c2c(CC(C)(C)N)c[nH]c12
InChIInChI=1S/C13H17ClN2/c1-8-4-5-10(14)11-9(6-13(2,3)15)7-16-12(8)11/h4-5,7,16H,6,15H2,1-3H3
InChIKeyMNLQXOXTDNDKPD-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.41
Rot. Bonds2

About 1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine

1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine (PubChem CID 96594111) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine
PubChem CID96594111
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine
SMILESCc1ccc(Cl)c2c(CC(C)(C)N)c[nH]c12
InChIInChI=1S/C13H17ClN2/c1-8-4-5-10(14)11-9(6-13(2,3)15)7-16-12(8)11/h4-5,7,16H,6,15H2,1-3H3
InChIKeyMNLQXOXTDNDKPD-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine (CID 96594111) is 1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine is Cc1ccc(Cl)c2c(CC(C)(C)N)c[nH]c12.
What is the InChIKey of 1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine?
The InChIKey is MNLQXOXTDNDKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-8-4-5-10(14)11-9(6-13(2,3)15)7-16-12(8)11/h4-5,7,16H,6,15H2,1-3H3.
What are the key properties of 1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine?
1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine has a molecular weight of 236.75 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 96594111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).