2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C17H23NO2S — CID 62597904

IUPAC2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCOCCc1ccc(OCCNCc2ccc(C)s2)cc1
InChIInChI=1S/C17H23NO2S/c1-14-3-8-17(21-14)13-18-10-12-20-16-6-4-15(5-7-16)9-11-19-2/h3-8,18H,9-13H2,1-2H3
InChIKeyAPBFMMPULMNAJI-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.41
Rot. Bonds9

About 2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine

2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 62597904) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID62597904
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCOCCc1ccc(OCCNCc2ccc(C)s2)cc1
InChIInChI=1S/C17H23NO2S/c1-14-3-8-17(21-14)13-18-10-12-20-16-6-4-15(5-7-16)9-11-19-2/h3-8,18H,9-13H2,1-2H3
InChIKeyAPBFMMPULMNAJI-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62572739
2-(4-methylsulfanylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63648590
2-(4-butan-2-ylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107668554
N-[(5-methylthiophen-2-yl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 62056067
N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine
CID 62598072
2-(2-bromo-4-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 104708530
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]propan-2-amine
CID 14694037
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62598944
2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107668644
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine
CID 55093446
N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
CID 4715741
N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine
CID 107315206

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 62597904) is 2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine is COCCc1ccc(OCCNCc2ccc(C)s2)cc1.
What is the InChIKey of 2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is APBFMMPULMNAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-14-3-8-17(21-14)13-18-10-12-20-16-6-4-15(5-7-16)9-11-19-2/h3-8,18H,9-13H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 305.44 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 62597904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).