1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine

C11H15ClN2O — CID 105484217

IUPAC1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine
SMILESCOc1cc(CCC2(N)CC2)c(Cl)cn1
InChIInChI=1S/C11H15ClN2O/c1-15-10-6-8(9(12)7-14-10)2-3-11(13)4-5-11/h6-7H,2-5,13H2,1H3
InChIKeyXMCILZGHGYJGFA-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.17
Rot. Bonds4

About 1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine

1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine (PubChem CID 105484217) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine
PubChem CID105484217
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine
SMILESCOc1cc(CCC2(N)CC2)c(Cl)cn1
InChIInChI=1S/C11H15ClN2O/c1-15-10-6-8(9(12)7-14-10)2-3-11(13)4-5-11/h6-7H,2-5,13H2,1H3
InChIKeyXMCILZGHGYJGFA-UHFFFAOYSA-N
XLogP2.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine (CID 105484217) is 1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine is COc1cc(CCC2(N)CC2)c(Cl)cn1.
What is the InChIKey of 1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine?
The InChIKey is XMCILZGHGYJGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-10-6-8(9(12)7-14-10)2-3-11(13)4-5-11/h6-7H,2-5,13H2,1H3.
What are the key properties of 1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine?
1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine has a molecular weight of 226.71 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105484217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).