N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine

C15H19NO2S — CID 2562097

IUPACN-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cccs2)c(OC)c1
InChIInChI=1S/C15H19NO2S/c1-3-16-10-12-6-7-14(15(9-12)17-2)18-11-13-5-4-8-19-13/h4-9,16H,3,10-11H2,1-2H3
InChIKeyJFNCOWKYYLAPPG-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.45
Rot. Bonds7

About N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine

N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 2562097) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID2562097
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cccs2)c(OC)c1
InChIInChI=1S/C15H19NO2S/c1-3-16-10-12-6-7-14(15(9-12)17-2)18-11-13-5-4-8-19-13/h4-9,16H,3,10-11H2,1-2H3
InChIKeyJFNCOWKYYLAPPG-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine with MolForge

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Related Compounds

(E)-N-ethyl-6,6-dimethyl-N-[[3-[2-methyl-2-(thiophen-3-ylmethoxy)propoxy]phenyl]methyl]hept-2-en-4-yn-1-amine;hydrochloride
CID 9869566
N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
N-(2-Aminoethyl)-N-(4-(benzyloxy)-3-methoxybenzyl)thiophene-2-carboxamide
CID 11675630
N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide
CID 784454
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 6623334
Thiophene-2-acetamide, N-(3,4-dimethoxyphenethyl)-
CID 785974
1'-(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 70689288
2-(2-propan-2-yloxyphenoxy)-N-[(3-thiophen-3-ylphenyl)methyl]ethanamine
CID 16109482
2-(2-propan-2-yloxyphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]ethanamine
CID 16109492
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 2206758
2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2976026
[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine (CID 2562097) is N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1ccc(OCc2cccs2)c(OC)c1.
What is the InChIKey of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is JFNCOWKYYLAPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-3-16-10-12-6-7-14(15(9-12)17-2)18-11-13-5-4-8-19-13/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 277.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 2562097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).