2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine

C16H21NO3S — CID 62599304

IUPAC2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOc1cc(C)cc(OC)c1OCCNCc1cccs1
InChIInChI=1S/C16H21NO3S/c1-12-9-14(18-2)16(15(10-12)19-3)20-7-6-17-11-13-5-4-8-21-13/h4-5,8-10,17H,6-7,11H2,1-3H3
InChIKeyWAZHJJXYZUTYOW-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.24
Rot. Bonds8

About 2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine

2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 62599304) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID62599304
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOc1cc(C)cc(OC)c1OCCNCc1cccs1
InChIInChI=1S/C16H21NO3S/c1-12-9-14(18-2)16(15(10-12)19-3)20-7-6-17-11-13-5-4-8-21-13/h4-5,8-10,17H,6-7,11H2,1-3H3
InChIKeyWAZHJJXYZUTYOW-UHFFFAOYSA-N
XLogP3.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39381817
2-(5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 54798989
1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54883860
N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62599477
N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
CID 29228055
2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39361592
N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54807586
2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 60932472
1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 43090897
N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805900
2-(3-bromophenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39452165
N-[[3-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]methyl]propan-1-amine
CID 63775094

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine (CID 62599304) is 2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine is COc1cc(C)cc(OC)c1OCCNCc1cccs1.
What is the InChIKey of 2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is WAZHJJXYZUTYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-12-9-14(18-2)16(15(10-12)19-3)20-7-6-17-11-13-5-4-8-21-13/h4-5,8-10,17H,6-7,11H2,1-3H3.
What are the key properties of 2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine?
2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 307.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 62599304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).