3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline

C15H19N3O — CID 81251021

IUPAC3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline
SMILESCc1cc(Oc2cccc(N(C)C)c2)c(CN)cn1
InChIInChI=1S/C15H19N3O/c1-11-7-15(12(9-16)10-17-11)19-14-6-4-5-13(8-14)18(2)3/h4-8,10H,9,16H2,1-3H3
InChIKeyMXCMDQJLBLCWNJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.71
Rot. Bonds4

About 3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline

3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline (PubChem CID 81251021) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline
PubChem CID81251021
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline
SMILESCc1cc(Oc2cccc(N(C)C)c2)c(CN)cn1
InChIInChI=1S/C15H19N3O/c1-11-7-15(12(9-16)10-17-11)19-14-6-4-5-13(8-14)18(2)3/h4-8,10H,9,16H2,1-3H3
InChIKeyMXCMDQJLBLCWNJ-UHFFFAOYSA-N
XLogP2.71
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251232
[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81255400
[6-methyl-4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81251268
[6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine
CID 81250178
[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine
CID 83235153
3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline
CID 114863221
3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 22688623
2-[3-(dimethylamino)phenoxy]-4-methylaniline
CID 26189579
(6-methyl-4-quinolin-8-yloxy-3-pyridinyl)methanamine
CID 81251012
[3-[3-(dimethylamino)phenoxy]-4-pyridinyl]methanol
CID 105067102
(4-ethoxy-6-methyl-3-pyridinyl)methanamine
CID 81255491
[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81254597

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline?
The IUPAC name of 3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline (CID 81251021) is 3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline is Cc1cc(Oc2cccc(N(C)C)c2)c(CN)cn1.
What is the InChIKey of 3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline?
The InChIKey is MXCMDQJLBLCWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-7-15(12(9-16)10-17-11)19-14-6-4-5-13(8-14)18(2)3/h4-8,10H,9,16H2,1-3H3.
What are the key properties of 3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline?
3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline has a molecular weight of 257.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline is sourced from PubChem (CID 81251021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).