2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C17H23NO2S — CID 107668644

IUPAC2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccc(OCCNCc2ccc(C)s2)c(OC)c1
InChIInChI=1S/C17H23NO2S/c1-4-14-6-8-16(17(11-14)19-3)20-10-9-18-12-15-7-5-13(2)21-15/h5-8,11,18H,4,9-10,12H2,1-3H3
InChIKeyNCMHCWLJEVSIKB-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.80
Rot. Bonds8

About 2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 107668644) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID107668644
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccc(OCCNCc2ccc(C)s2)c(OC)c1
InChIInChI=1S/C17H23NO2S/c1-4-14-6-8-16(17(11-14)19-3)20-10-9-18-12-15-7-5-13(2)21-15/h5-8,11,18H,4,9-10,12H2,1-3H3
InChIKeyNCMHCWLJEVSIKB-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.80
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-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2976026
2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62572739
2-(2-bromo-4-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 104708530
1-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111898021
2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 8851253
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 107668711
4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 107668718
2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62597904
4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 107668456
1-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111897391
2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206586
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline
CID 107668654

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 107668644) is 2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is CCc1ccc(OCCNCc2ccc(C)s2)c(OC)c1.
What is the InChIKey of 2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is NCMHCWLJEVSIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-4-14-6-8-16(17(11-14)19-3)20-10-9-18-12-15-7-5-13(2)21-15/h5-8,11,18H,4,9-10,12H2,1-3H3.
What are the key properties of 2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 305.44 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 107668644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).