3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine

C13H17ClN2 — CID 82496899

IUPAC3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cn(C)c2c(Cl)cccc12
InChIInChI=1S/C13H17ClN2/c1-15-8-4-5-10-9-16(2)13-11(10)6-3-7-12(13)14/h3,6-7,9,15H,4-5,8H2,1-2H3
InChIKeyQYUQOSVTJAHQSK-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.98
Rot. Bonds4

About 3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine

3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine (PubChem CID 82496899) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine
PubChem CID82496899
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cn(C)c2c(Cl)cccc12
InChIInChI=1S/C13H17ClN2/c1-15-8-4-5-10-9-16(2)13-11(10)6-3-7-12(13)14/h3,6-7,9,15H,4-5,8H2,1-2H3
InChIKeyQYUQOSVTJAHQSK-UHFFFAOYSA-N
XLogP2.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine (CID 82496899) is 3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine is CNCCCc1cn(C)c2c(Cl)cccc12.
What is the InChIKey of 3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine?
The InChIKey is QYUQOSVTJAHQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-15-8-4-5-10-9-16(2)13-11(10)6-3-7-12(13)14/h3,6-7,9,15H,4-5,8H2,1-2H3.
What are the key properties of 3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine?
3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine has a molecular weight of 236.75 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 82496899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).