N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline

C16H21NOS — CID 62867709

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline
SMILESCOc1ccc(NC(C)c2cc(C)sc2C)c(C)c1
InChIInChI=1S/C16H21NOS/c1-10-8-14(18-5)6-7-16(10)17-12(3)15-9-11(2)19-13(15)4/h6-9,12,17H,1-5H3
InChIKeyHWUGGLOTSOYLJN-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.86
Rot. Bonds4

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline (PubChem CID 62867709) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline
PubChem CID62867709
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline
SMILESCOc1ccc(NC(C)c2cc(C)sc2C)c(C)c1
InChIInChI=1S/C16H21NOS/c1-10-8-14(18-5)6-7-16(10)17-12(3)15-9-11(2)19-13(15)4/h6-9,12,17H,1-5H3
InChIKeyHWUGGLOTSOYLJN-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-nitroaniline
CID 43433076
4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline
CID 94885289
2-[1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-4-methoxyphenol
CID 43737447
2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43683002
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-fluoroaniline
CID 43111824
4-methoxy-2-methyl-N-[1-(2-nitrophenyl)ethyl]aniline
CID 62867174
2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-4-methoxyphenol
CID 43737388
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43150400
4-bromo-2,3-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 107787895
4-chloro-1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzene-1,2-diamine
CID 54965014
4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 62868006
N-but-3-en-2-yl-4-methoxy-2-methylaniline
CID 107906934

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline (CID 62867709) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline is COc1ccc(NC(C)c2cc(C)sc2C)c(C)c1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline?
The InChIKey is HWUGGLOTSOYLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-10-8-14(18-5)6-7-16(10)17-12(3)15-9-11(2)19-13(15)4/h6-9,12,17H,1-5H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline has a molecular weight of 275.42 g/mol, XLogP of 4.86, 4 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]-4-methoxy-2-methylaniline is sourced from PubChem (CID 62867709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).