3-(3-chloroindol-1-yl)-N-methylpropan-1-amine

C12H15ClN2 — CID 62804121

IUPAC3-(3-chloroindol-1-yl)-N-methylpropan-1-amine
SMILESCNCCCn1cc(Cl)c2ccccc21
InChIInChI=1S/C12H15ClN2/c1-14-7-4-8-15-9-11(13)10-5-2-3-6-12(10)15/h2-3,5-6,9,14H,4,7-8H2,1H3
InChIKeyVEUDLLYKHUZWPT-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.90
Rot. Bonds4

About 3-(3-chloroindol-1-yl)-N-methylpropan-1-amine

3-(3-chloroindol-1-yl)-N-methylpropan-1-amine (PubChem CID 62804121) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 3-(3-chloroindol-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chloroindol-1-yl)-N-methylpropan-1-amine
PubChem CID62804121
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name3-(3-chloroindol-1-yl)-N-methylpropan-1-amine
SMILESCNCCCn1cc(Cl)c2ccccc21
InChIInChI=1S/C12H15ClN2/c1-14-7-4-8-15-9-11(13)10-5-2-3-6-12(10)15/h2-3,5-6,9,14H,4,7-8H2,1H3
InChIKeyVEUDLLYKHUZWPT-UHFFFAOYSA-N
XLogP2.90
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.90
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-(3-chloroindol-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(3-chloroindol-1-yl)-N-methylpropan-1-amine (CID 62804121) is 3-(3-chloroindol-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-chloroindol-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-chloroindol-1-yl)-N-methylpropan-1-amine is CNCCCn1cc(Cl)c2ccccc21.
What is the InChIKey of 3-(3-chloroindol-1-yl)-N-methylpropan-1-amine?
The InChIKey is VEUDLLYKHUZWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-14-7-4-8-15-9-11(13)10-5-2-3-6-12(10)15/h2-3,5-6,9,14H,4,7-8H2,1H3.
What are the key properties of 3-(3-chloroindol-1-yl)-N-methylpropan-1-amine?
3-(3-chloroindol-1-yl)-N-methylpropan-1-amine has a molecular weight of 222.72 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroindol-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62804121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).