2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine

C13H17ClN2 — CID 116993755

IUPAC2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1c(C)c(Cl)c2ccccn12
InChIInChI=1S/C13H17ClN2/c1-9-11(14)10-7-5-6-8-16(10)12(9)13(2,3)15-4/h5-8,15H,1-4H3
InChIKeyLPXJIDVHXZCGDM-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.36
Rot. Bonds2

About 2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine

2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine (PubChem CID 116993755) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine
PubChem CID116993755
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1c(C)c(Cl)c2ccccn12
InChIInChI=1S/C13H17ClN2/c1-9-11(14)10-7-5-6-8-16(10)12(9)13(2,3)15-4/h5-8,15H,1-4H3
InChIKeyLPXJIDVHXZCGDM-UHFFFAOYSA-N
XLogP3.36
TPSA16.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine
CID 116993791
3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine
CID 116993714
2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol
CID 116993805
3-amino-3-(1-chloro-2-methylindolizin-3-yl)propanoic acid
CID 116993787
1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine
CID 116993762
3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine
CID 1214543
2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine
CID 102517095
1-chloro-2-methyl-3-(piperidin-2-ylmethyl)indolizine
CID 116993733
10-chloro-4-methylpyridazino[4,5-b]indolizine
CID 67920589
3-chloro-2-methylindolizine-1-carboxylic acid
CID 174650392
1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-N-methylmethanamine
CID 83879673
tert-butyl 3-chloroindolizine-1-carboxylate
CID 141195530

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine (CID 116993755) is 2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine is CNC(C)(C)c1c(C)c(Cl)c2ccccn12.
What is the InChIKey of 2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine?
The InChIKey is LPXJIDVHXZCGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-9-11(14)10-7-5-6-8-16(10)12(9)13(2,3)15-4/h5-8,15H,1-4H3.
What are the key properties of 2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine?
2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine has a molecular weight of 236.75 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 116993755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).