N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine

C12H17ClN2O — CID 115893937

IUPACN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine
SMILESCC(NCCOc1ccc(Cl)cn1)C1CC1
InChIInChI=1S/C12H17ClN2O/c1-9(10-2-3-10)14-6-7-16-12-5-4-11(13)8-15-12/h4-5,8-10,14H,2-3,6-7H2,1H3
InChIKeyJMCYNSCJWXJESB-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.50
Rot. Bonds6

About N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine (PubChem CID 115893937) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine
PubChem CID115893937
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine
SMILESCC(NCCOc1ccc(Cl)cn1)C1CC1
InChIInChI=1S/C12H17ClN2O/c1-9(10-2-3-10)14-6-7-16-12-5-4-11(13)8-15-12/h4-5,8-10,14H,2-3,6-7H2,1H3
InChIKeyJMCYNSCJWXJESB-UHFFFAOYSA-N
XLogP2.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
CID 115697129
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
CID 115876783
1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine
CID 62585284
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine
CID 65125135
(1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine
CID 97230820
1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 62572699
1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
CID 55024132
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900787
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine
CID 115697912
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
CID 120504371
5-chloro-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448551
1-cyclopropyl-N-(2-quinolin-8-yloxyethyl)ethanamine
CID 62598191

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine (CID 115893937) is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine is CC(NCCOc1ccc(Cl)cn1)C1CC1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine?
The InChIKey is JMCYNSCJWXJESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(10-2-3-10)14-6-7-16-12-5-4-11(13)8-15-12/h4-5,8-10,14H,2-3,6-7H2,1H3.
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine?
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine has a molecular weight of 240.73 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine is sourced from PubChem (CID 115893937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).