3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine

C12H15ClN2 — CID 116993714

IUPAC3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine
SMILESCc1c(Cl)c2ccccn2c1CCCN
InChIInChI=1S/C12H15ClN2/c1-9-10(6-4-7-14)15-8-3-2-5-11(15)12(9)13/h2-3,5,8H,4,6-7,14H2,1H3
InChIKeyJSDJWJGPCPMGIK-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.79
Rot. Bonds3

About 3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine

3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine (PubChem CID 116993714) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine
PubChem CID116993714
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine
SMILESCc1c(Cl)c2ccccn2c1CCCN
InChIInChI=1S/C12H15ClN2/c1-9-10(6-4-7-14)15-8-3-2-5-11(15)12(9)13/h2-3,5,8H,4,6-7,14H2,1H3
InChIKeyJSDJWJGPCPMGIK-UHFFFAOYSA-N
XLogP2.79
TPSA30.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.79
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
1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine
CID 116993762
1-chloro-2-methyl-3-(piperidin-2-ylmethyl)indolizine
CID 116993733
3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine
CID 1214543
3-amino-3-(1-chloro-2-methylindolizin-3-yl)propanoic acid
CID 116993787
3-(2-tert-butylindolizin-3-yl)propan-1-amine
CID 170868125
2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine
CID 116993755
2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol
CID 116993805
3-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]propan-1-amine
CID 94231471
3-(3-aminopropyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84760068
3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
CID 84774719
3-(2-chloro-3-methylphenyl)propan-1-amine
CID 83696792

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine?
The IUPAC name of 3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine (CID 116993714) is 3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine?
The canonical SMILES for 3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine is Cc1c(Cl)c2ccccn2c1CCCN.
What is the InChIKey of 3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine?
The InChIKey is JSDJWJGPCPMGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-9-10(6-4-7-14)15-8-3-2-5-11(15)12(9)13/h2-3,5,8H,4,6-7,14H2,1H3.
What are the key properties of 3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine?
3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine has a molecular weight of 222.72 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine is sourced from PubChem (CID 116993714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).