N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine

C15H19NO2S — CID 62572275

IUPACN-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine
SMILESCOc1cccc(OCCNCCc2cccs2)c1
InChIInChI=1S/C15H19NO2S/c1-17-13-4-2-5-14(12-13)18-10-9-16-8-7-15-6-3-11-19-15/h2-6,11-12,16H,7-10H2,1H3
InChIKeyVDZHNJSQBFZOLZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.97
Rot. Bonds8

About N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine

N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine (PubChem CID 62572275) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine
PubChem CID62572275
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine
SMILESCOc1cccc(OCCNCCc2cccs2)c1
InChIInChI=1S/C15H19NO2S/c1-17-13-4-2-5-14(12-13)18-10-9-16-8-7-15-6-3-11-19-15/h2-6,11-12,16H,7-10H2,1H3
InChIKeyVDZHNJSQBFZOLZ-UHFFFAOYSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.97
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

N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62564771
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62598944
N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine
CID 39374683
N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 82339456
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
CID 62573044
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 107661497
2-(3-bromophenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39452165
N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
CID 62572887
N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63776029
N-[2-(4-bromo-2-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63214231

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine (CID 62572275) is N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine is COc1cccc(OCCNCCc2cccs2)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is VDZHNJSQBFZOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-17-13-4-2-5-14(12-13)18-10-9-16-8-7-15-6-3-11-19-15/h2-6,11-12,16H,7-10H2,1H3.
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine?
N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62572275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).