1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine

C21H23N3O2 — CID 51086161

IUPAC1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1cc(C(C)NCc2cccnc2)ccc1OCc1ccncc1
InChIInChI=1S/C21H23N3O2/c1-16(24-14-18-4-3-9-23-13-18)19-5-6-20(21(12-19)25-2)26-15-17-7-10-22-11-8-17/h3-13,16,24H,14-15H2,1-2H3
InChIKeyNTJOPFAOJGZSFE-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.91
Rot. Bonds8

About 1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine

1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 51086161) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID51086161
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1cc(C(C)NCc2cccnc2)ccc1OCc1ccncc1
InChIInChI=1S/C21H23N3O2/c1-16(24-14-18-4-3-9-23-13-18)19-5-6-20(21(12-19)25-2)26-15-17-7-10-22-11-8-17/h3-13,16,24H,14-15H2,1-2H3
InChIKeyNTJOPFAOJGZSFE-UHFFFAOYSA-N
XLogP3.91
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 43279469
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43275392
2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol
CID 110908334
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 119110162
2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
CID 55806619
(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30110379
1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine
CID 63264668
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 75482348

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine (CID 51086161) is 1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine is COc1cc(C(C)NCc2cccnc2)ccc1OCc1ccncc1.
What is the InChIKey of 1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is NTJOPFAOJGZSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16(24-14-18-4-3-9-23-13-18)19-5-6-20(21(12-19)25-2)26-15-17-7-10-22-11-8-17/h3-13,16,24H,14-15H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine?
1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 349.43 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 51086161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).