N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine

C16H21NO2S — CID 62564771

IUPACN-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
SMILESCOc1cccc(COCCNCCc2cccs2)c1
InChIInChI=1S/C16H21NO2S/c1-18-15-5-2-4-14(12-15)13-19-10-9-17-8-7-16-6-3-11-20-16/h2-6,11-12,17H,7-10,13H2,1H3
InChIKeyVVJHQXFPOGHOLJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.11
Rot. Bonds9

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

N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine (PubChem CID 62564771) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
PubChem CID62564771
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
SMILESCOc1cccc(COCCNCCc2cccs2)c1
InChIInChI=1S/C16H21NO2S/c1-18-15-5-2-4-14(12-15)13-19-10-9-17-8-7-16-6-3-11-20-16/h2-6,11-12,17H,7-10,13H2,1H3
InChIKeyVVJHQXFPOGHOLJ-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.11
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-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 62572275
N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine
CID 62565758
N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 65125134
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 62565553
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine
CID 39374683
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233
2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 107852103
2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 62565169
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349501
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine (CID 62564771) is N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine is COc1cccc(COCCNCCc2cccs2)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is VVJHQXFPOGHOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-18-15-5-2-4-14(12-15)13-19-10-9-17-8-7-16-6-3-11-20-16/h2-6,11-12,17H,7-10,13H2,1H3.
What are the key properties of N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine?
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62564771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).