2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol

C16H21N3O2 — CID 109379984

IUPAC2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol
SMILESCN(C)c1ccc(CNc2ccc(OCCO)nc2)cc1
InChIInChI=1S/C16H21N3O2/c1-19(2)15-6-3-13(4-7-15)11-17-14-5-8-16(18-12-14)21-10-9-20/h3-8,12,17,20H,9-11H2,1-2H3
InChIKeyYLRHJHIFJAEDJO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds7

About 2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol

2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol (PubChem CID 109379984) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol
PubChem CID109379984
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol
SMILESCN(C)c1ccc(CNc2ccc(OCCO)nc2)cc1
InChIInChI=1S/C16H21N3O2/c1-19(2)15-6-3-13(4-7-15)11-17-14-5-8-16(18-12-14)21-10-9-20/h3-8,12,17,20H,9-11H2,1-2H3
InChIKeyYLRHJHIFJAEDJO-UHFFFAOYSA-N
XLogP2.13
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile
CID 109379854
2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 99841271
2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379922
2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol
CID 109379880
4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 43688357
2-[[5-[(2,4-dimethylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379933
1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 927227
N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190538
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol
CID 107685440
2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol
CID 99837201

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol (CID 109379984) is 2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol is CN(C)c1ccc(CNc2ccc(OCCO)nc2)cc1.
What is the InChIKey of 2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol?
The InChIKey is YLRHJHIFJAEDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(2)15-6-3-13(4-7-15)11-17-14-5-8-16(18-12-14)21-10-9-20/h3-8,12,17,20H,9-11H2,1-2H3.
What are the key properties of 2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol?
2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol has a molecular weight of 287.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 109379984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).