1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine

C12H17ClN2 — CID 117201101

IUPAC1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C12H17ClN2/c1-8(14-2)5-11-7-9-6-10(13)3-4-12(9)15-11/h3-4,6,8,11,14-15H,5,7H2,1-2H3
InChIKeyQDXLNKSEBDEGIB-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.67
Rot. Bonds3

About 1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine

1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine (PubChem CID 117201101) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine
PubChem CID117201101
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C12H17ClN2/c1-8(14-2)5-11-7-9-6-10(13)3-4-12(9)15-11/h3-4,6,8,11,14-15H,5,7H2,1-2H3
InChIKeyQDXLNKSEBDEGIB-UHFFFAOYSA-N
XLogP2.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine (CID 117201101) is 1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine is CNC(C)CC1Cc2cc(Cl)ccc2N1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine?
The InChIKey is QDXLNKSEBDEGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8(14-2)5-11-7-9-6-10(13)3-4-12(9)15-11/h3-4,6,8,11,14-15H,5,7H2,1-2H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine?
1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine has a molecular weight of 224.73 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117201101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).