N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline

C16H21N3O — CID 62584977

IUPACN,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline
SMILESCN(C)c1cccc(OCCNCc2ccccn2)c1
InChIInChI=1S/C16H21N3O/c1-19(2)15-7-5-8-16(12-15)20-11-10-17-13-14-6-3-4-9-18-14/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyRMCXBZMUTSQXPO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.32
Rot. Bonds7

About N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline

N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline (PubChem CID 62584977) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline
PubChem CID62584977
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline
SMILESCN(C)c1cccc(OCCNCc2ccccn2)c1
InChIInChI=1S/C16H21N3O/c1-19(2)15-7-5-8-16(12-15)20-11-10-17-13-14-6-3-4-9-18-14/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyRMCXBZMUTSQXPO-UHFFFAOYSA-N
XLogP2.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.32
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

2-(4-chloro-3,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 39396825
2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 60684901
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
CID 62584415
2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 39358243
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 104708550
2-[3-[[2-[3-(dimethylamino)phenoxy]ethylamino]methyl]phenoxy]-2-methylpropanoic acid
CID 70806398
2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 107286479
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine
CID 62583986
3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine
CID 115377712
N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline
CID 62485229

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline?
The IUPAC name of N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline (CID 62584977) is N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline.
What is the SMILES notation for N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline?
The canonical SMILES for N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline is CN(C)c1cccc(OCCNCc2ccccn2)c1.
What is the InChIKey of N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline?
The InChIKey is RMCXBZMUTSQXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(2)15-7-5-8-16(12-15)20-11-10-17-13-14-6-3-4-9-18-14/h3-9,12,17H,10-11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline?
N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline has a molecular weight of 271.36 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline is sourced from PubChem (CID 62584977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).