3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C11H18ClN3O — CID 62295963

IUPAC3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(Cl)c(CN)n1
InChIInChI=1S/C11H18ClN3O/c1-15(2)6-3-7-16-11-5-4-9(12)10(8-13)14-11/h4-5H,3,6-8,13H2,1-2H3
InChIKeyXNDFYCHXTKLNHT-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.52
Rot. Bonds6

About 3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 62295963) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID62295963
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(Cl)c(CN)n1
InChIInChI=1S/C11H18ClN3O/c1-15(2)6-3-7-16-11-5-4-9(12)10(8-13)14-11/h4-5H,3,6-8,13H2,1-2H3
InChIKeyXNDFYCHXTKLNHT-UHFFFAOYSA-N
XLogP1.52
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine
CID 103405839
[3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine
CID 63684959
(6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine
CID 62289507
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
(3-chloro-6-methoxy-2-pyridinyl)methanamine;hydrochloride
CID 171363984
(6-but-2-enoxy-3-chloro-2-pyridinyl)methanamine
CID 76938382
(3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine
CID 62290164
3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol
CID 61255295
3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 62298226
3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
CID 114525429
[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol
CID 61257163
(3-chloro-6-phenoxy-2-pyridinyl)methanamine
CID 62296116

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 62295963) is 3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(Cl)c(CN)n1.
What is the InChIKey of 3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is XNDFYCHXTKLNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-15(2)6-3-7-16-11-5-4-9(12)10(8-13)14-11/h4-5H,3,6-8,13H2,1-2H3.
What are the key properties of 3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 243.74 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 62295963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).