3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline

C14H17NO2S — CID 54803133

IUPAC3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline
SMILESCOCCOc1cccc(NCc2cccs2)c1
InChIInChI=1S/C14H17NO2S/c1-16-7-8-17-13-5-2-4-12(10-13)15-11-14-6-3-9-18-14/h2-6,9-10,15H,7-8,11H2,1H3
InChIKeyBXUGQLPORXUINI-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.39
Rot. Bonds7

About 3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline

3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline (PubChem CID 54803133) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline
PubChem CID54803133
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline
SMILESCOCCOc1cccc(NCc2cccs2)c1
InChIInChI=1S/C14H17NO2S/c1-16-7-8-17-13-5-2-4-12(10-13)15-11-14-6-3-9-18-14/h2-6,9-10,15H,7-8,11H2,1H3
InChIKeyBXUGQLPORXUINI-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.39
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-chlorothiophen-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 54864777
2-[3-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43720191
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 102834449
N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
CID 63204186
N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60935517
3-(2-methoxyethoxy)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 60936529
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934662
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762009
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
N-(2,2-dimethoxyethyl)-3-(2-methoxyethoxy)aniline
CID 63698128
N-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762008

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline (CID 54803133) is 3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline is COCCOc1cccc(NCc2cccs2)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is BXUGQLPORXUINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-16-7-8-17-13-5-2-4-12(10-13)15-11-14-6-3-9-18-14/h2-6,9-10,15H,7-8,11H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline?
3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 263.36 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 54803133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).