N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine

C21H24N2O2S — CID 119111433

IUPACN-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
SMILESCCc1ccc(CNCc2ccc(OC)c(OCc3cccnc3)c2)s1
InChIInChI=1S/C21H24N2O2S/c1-3-18-7-8-19(26-18)14-23-12-16-6-9-20(24-2)21(11-16)25-15-17-5-4-10-22-13-17/h4-11,13,23H,3,12,14-15H2,1-2H3
InChIKeyJOWZGXOQMFKCNF-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.58
Rot. Bonds9

About N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine

N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine (PubChem CID 119111433) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
PubChem CID119111433
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
SMILESCCc1ccc(CNCc2ccc(OC)c(OCc3cccnc3)c2)s1
InChIInChI=1S/C21H24N2O2S/c1-3-18-7-8-19(26-18)14-23-12-16-6-9-20(24-2)21(11-16)25-15-17-5-4-10-22-13-17/h4-11,13,23H,3,12,14-15H2,1-2H3
InChIKeyJOWZGXOQMFKCNF-UHFFFAOYSA-N
XLogP4.58
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine with MolForge

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Related Compounds

1-(3-butoxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39423559
N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 38050827
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine
CID 86984400
1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997399
N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 119127589
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-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 119111431
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 17054958

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine (CID 119111433) is N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine is CCc1ccc(CNCc2ccc(OC)c(OCc3cccnc3)c2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine?
The InChIKey is JOWZGXOQMFKCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-3-18-7-8-19(26-18)14-23-12-16-6-9-20(24-2)21(11-16)25-15-17-5-4-10-22-13-17/h4-11,13,23H,3,12,14-15H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine?
N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine has a molecular weight of 368.50 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 119111433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).