2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine

C25H31N3O2 — CID 11640057

IUPAC2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(-c2cncc(-c3ccc(OCCN(C)C)cc3)c2)cc1
InChIInChI=1S/C25H31N3O2/c1-27(2)13-15-29-24-9-5-20(6-10-24)22-17-23(19-26-18-22)21-7-11-25(12-8-21)30-16-14-28(3)4/h5-12,17-19H,13-16H2,1-4H3
InChIKeyXLRJSWZVGWESHO-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.30
Rot. Bonds10

About 2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine

2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 11640057) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine
PubChem CID11640057
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(-c2cncc(-c3ccc(OCCN(C)C)cc3)c2)cc1
InChIInChI=1S/C25H31N3O2/c1-27(2)13-15-29-24-9-5-20(6-10-24)22-17-23(19-26-18-22)21-7-11-25(12-8-21)30-16-14-28(3)4/h5-12,17-19H,13-16H2,1-4H3
InChIKeyXLRJSWZVGWESHO-UHFFFAOYSA-N
XLogP4.30
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine
CID 110447605
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
3-[4-[5-[1-[2-(dimethylamino)ethyl]indol-2-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 44585338
N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine
CID 19079462
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol
CID 44560330
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
5-[2-(dimethylamino)ethoxy]-N-methylpyridin-3-amine
CID 104536648
1-[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-N-methylpropan-2-amine
CID 110447832
N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine
CID 122182214

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine (CID 11640057) is 2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1ccc(-c2cncc(-c3ccc(OCCN(C)C)cc3)c2)cc1.
What is the InChIKey of 2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is XLRJSWZVGWESHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-27(2)13-15-29-24-9-5-20(6-10-24)22-17-23(19-26-18-22)21-7-11-25(12-8-21)30-16-14-28(3)4/h5-12,17-19H,13-16H2,1-4H3.
What are the key properties of 2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine?
2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 405.54 g/mol, XLogP of 4.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 11640057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).