N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine

C12H17ClN2O — CID 62286994

IUPACN-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine
SMILESCCNCc1cnc(OC2CCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-2-14-7-9-6-11(13)12(15-8-9)16-10-4-3-5-10/h6,8,10,14H,2-5,7H2,1H3
InChIKeyIXDBJIMZQASJJC-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.78
Rot. Bonds5

About N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine

N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine (PubChem CID 62286994) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine
PubChem CID62286994
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine
SMILESCCNCc1cnc(OC2CCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-2-14-7-9-6-11(13)12(15-8-9)16-10-4-3-5-10/h6,8,10,14H,2-5,7H2,1H3
InChIKeyIXDBJIMZQASJJC-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine
CID 102607900
N-[[5-chloro-6-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 62287711
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
3-[[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62298233
N-[(5-chloro-6-pent-4-enoxy-3-pyridinyl)methyl]ethanamine
CID 79114404
5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde
CID 131539537
3-chloro-5-(ethylaminomethyl)-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 62282878
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 106597984
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
CID 62291222

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine (CID 62286994) is N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine is CCNCc1cnc(OC2CCC2)c(Cl)c1.
What is the InChIKey of N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is IXDBJIMZQASJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-2-14-7-9-6-11(13)12(15-8-9)16-10-4-3-5-10/h6,8,10,14H,2-5,7H2,1H3.
What are the key properties of N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine?
N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 240.73 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 62286994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).