N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine

C16H21NO2S — CID 107558136

IUPACN-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COCCOc2ccccc2)s1
InChIInChI=1S/C16H21NO2S/c1-2-17-12-15-8-9-16(20-15)13-18-10-11-19-14-6-4-3-5-7-14/h3-9,17H,2,10-13H2,1H3
InChIKeyPRMFJOXYWHZDAL-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.45
Rot. Bonds9

About N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine

N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 107558136) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID107558136
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COCCOc2ccccc2)s1
InChIInChI=1S/C16H21NO2S/c1-2-17-12-15-8-9-16(20-15)13-18-10-11-19-14-6-4-3-5-7-14/h3-9,17H,2,10-13H2,1H3
InChIKeyPRMFJOXYWHZDAL-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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-[[5-(3-methylbutoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558092
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558453
N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558300
N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559170
N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558912
N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558267
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241
N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557974
N-[[5-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775994
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558332
N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine
CID 55078089

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine (CID 107558136) is N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(COCCOc2ccccc2)s1.
What is the InChIKey of N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is PRMFJOXYWHZDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-2-17-12-15-8-9-16(20-15)13-18-10-11-19-14-6-4-3-5-7-14/h3-9,17H,2,10-13H2,1H3.
What are the key properties of N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107558136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).