3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline

C14H17N3O — CID 81251232

IUPAC3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2ccncc2CN)c1
InChIInChI=1S/C14H17N3O/c1-17(2)12-4-3-5-13(8-12)18-14-6-7-16-10-11(14)9-15/h3-8,10H,9,15H2,1-2H3
InChIKeyRLUBEDBOCYCPQF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.40
Rot. Bonds4

About 3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline

3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline (PubChem CID 81251232) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline
PubChem CID81251232
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2ccncc2CN)c1
InChIInChI=1S/C14H17N3O/c1-17(2)12-4-3-5-13(8-12)18-14-6-7-16-10-11(14)9-15/h3-8,10H,9,15H2,1-2H3
InChIKeyRLUBEDBOCYCPQF-UHFFFAOYSA-N
XLogP2.40
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251021
[4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250345
[3-[3-(dimethylamino)phenoxy]-4-pyridinyl]methanol
CID 105067102
[4-(4-ethylphenoxy)-3-pyridinyl]methanamine
CID 81250347
[4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine
CID 81251221
[4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine
CID 81250207
3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline
CID 114863221
3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 22688623
3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 63801822
[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 81251189
[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 116689981
2-[3-(dimethylamino)phenoxy]-4-methylaniline
CID 26189579

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline?
The IUPAC name of 3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline (CID 81251232) is 3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline is CN(C)c1cccc(Oc2ccncc2CN)c1.
What is the InChIKey of 3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline?
The InChIKey is RLUBEDBOCYCPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(2)12-4-3-5-13(8-12)18-14-6-7-16-10-11(14)9-15/h3-8,10H,9,15H2,1-2H3.
What are the key properties of 3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline?
3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline has a molecular weight of 243.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline is sourced from PubChem (CID 81251232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).