N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline

C17H23NOS — CID 43750243

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NC(C)c1cc(C)sc1C
InChIInChI=1S/C17H23NOS/c1-5-19-11-15-8-6-7-9-17(15)18-13(3)16-10-12(2)20-14(16)4/h6-10,13,18H,5,11H2,1-4H3
InChIKeyMRCYPYSKTVOPKU-UHFFFAOYSA-N
MW289.44 g/mol
LogP5.07
Rot. Bonds6

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline (PubChem CID 43750243) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline
PubChem CID43750243
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NC(C)c1cc(C)sc1C
InChIInChI=1S/C17H23NOS/c1-5-19-11-15-8-6-7-9-17(15)18-13(3)16-10-12(2)20-14(16)4/h6-10,13,18H,5,11H2,1-4H3
InChIKeyMRCYPYSKTVOPKU-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol
CID 43750383
4-[1-[2-(ethoxymethyl)anilino]ethyl]phenol
CID 43750386
2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43750446
2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43792087
2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993290
2-(ethoxymethyl)-N-(4-methylpentan-2-yl)aniline
CID 43750390
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline
CID 61076982
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide
CID 60933451
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine
CID 43103063
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-(ethoxymethyl)aniline
CID 43792105
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline
CID 62867709
2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline
CID 66418816

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline (CID 43750243) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline is CCOCc1ccccc1NC(C)c1cc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline?
The InChIKey is MRCYPYSKTVOPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-5-19-11-15-8-6-7-9-17(15)18-13(3)16-10-12(2)20-14(16)4/h6-10,13,18H,5,11H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline has a molecular weight of 289.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline is sourced from PubChem (CID 43750243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).