1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine

C11H15ClN2O — CID 79799523

IUPAC1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCC=CCl)cn1
InChIInChI=1S/C11H15ClN2O/c1-9(13)7-10-3-4-11(8-14-10)15-6-2-5-12/h2-5,8-9H,6-7,13H2,1H3
InChIKeyMKAHLLCVNXKQNQ-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.10
Rot. Bonds5

About 1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine

1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine (PubChem CID 79799523) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine
PubChem CID79799523
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCC=CCl)cn1
InChIInChI=1S/C11H15ClN2O/c1-9(13)7-10-3-4-11(8-14-10)15-6-2-5-12/h2-5,8-9H,6-7,13H2,1H3
InChIKeyMKAHLLCVNXKQNQ-UHFFFAOYSA-N
XLogP2.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine
CID 79795581
[5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol
CID 79800185
1-[5-(2-fluoroethoxy)-2-pyridinyl]propan-2-amine
CID 80694475
1-(5-pentoxy-2-pyridinyl)propan-2-amine
CID 79799904
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]acetamide
CID 79800080
1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine
CID 79799433
1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine
CID 79790646
1-(5-hexoxy-2-pyridinyl)propan-2-amine
CID 79800440
1-(5-decoxy-2-pyridinyl)propan-2-amine
CID 79790628
1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine
CID 79799813
1-[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
CID 103049291
1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79800090

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine (CID 79799523) is 1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine is CC(N)Cc1ccc(OCC=CCl)cn1.
What is the InChIKey of 1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine?
The InChIKey is MKAHLLCVNXKQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-9(13)7-10-3-4-11(8-14-10)15-6-2-5-12/h2-5,8-9H,6-7,13H2,1H3.
What are the key properties of 1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine?
1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine has a molecular weight of 226.71 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 79799523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).