N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine

C22H25N3O3 — CID 38050827

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
SMILESCCOc1ncccc1CNCc1ccc(OC)c(OCc2cccnc2)c1
InChIInChI=1S/C22H25N3O3/c1-3-27-22-19(7-5-11-25-22)15-24-13-17-8-9-20(26-2)21(12-17)28-16-18-6-4-10-23-14-18/h4-12,14,24H,3,13,15-16H2,1-2H3
InChIKeyCEYSUFRCXYXNEO-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.75
Rot. Bonds10

About N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine

N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine (PubChem CID 38050827) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
PubChem CID38050827
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
SMILESCCOc1ncccc1CNCc1ccc(OC)c(OCc2cccnc2)c1
InChIInChI=1S/C22H25N3O3/c1-3-27-22-19(7-5-11-25-22)15-24-13-17-8-9-20(26-2)21(12-17)28-16-18-6-4-10-23-14-18/h4-12,14,24H,3,13,15-16H2,1-2H3
InChIKeyCEYSUFRCXYXNEO-UHFFFAOYSA-N
XLogP3.75
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine with MolForge

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 119111433
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 6473319
1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 6473316
1-(3-butoxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39423559
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 17054958
1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997399
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
1-(2-ethoxy-3-pyridinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 38050852
1-(3-chloro-4-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 65021941
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 17289276

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine (CID 38050827) is N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine is CCOc1ncccc1CNCc1ccc(OC)c(OCc2cccnc2)c1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine?
The InChIKey is CEYSUFRCXYXNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-27-22-19(7-5-11-25-22)15-24-13-17-8-9-20(26-2)21(12-17)28-16-18-6-4-10-23-14-18/h4-12,14,24H,3,13,15-16H2,1-2H3.
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine?
N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine has a molecular weight of 379.46 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 38050827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).