2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

C16H21NOS — CID 102848964

IUPAC2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCOCCc1ccccc1NC(C)c1sccc1C
InChIInChI=1S/C16H21NOS/c1-12-9-11-19-16(12)13(2)17-15-7-5-4-6-14(15)8-10-18-3/h4-7,9,11,13,17H,8,10H2,1-3H3
InChIKeyCOTUTISHNMSVEA-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.42
Rot. Bonds6

About 2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (PubChem CID 102848964) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
PubChem CID102848964
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCOCCc1ccccc1NC(C)c1sccc1C
InChIInChI=1S/C16H21NOS/c1-12-9-11-19-16(12)13(2)17-15-7-5-4-6-14(15)8-10-18-3/h4-7,9,11,13,17H,8,10H2,1-3H3
InChIKeyCOTUTISHNMSVEA-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
CID 63991837
4-[1-[2-(2-methoxyethyl)anilino]ethyl]phenol
CID 102903882
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
2-(2-methoxyethyl)-N-(3-methylpentan-2-yl)aniline
CID 102848997
N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
CID 82712468
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline
CID 102903779
2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol
CID 102848911
N-but-3-en-2-yl-2-(2-methoxyethyl)aniline
CID 107908300
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 95310720
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (CID 102848964) is 2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is COCCc1ccccc1NC(C)c1sccc1C.
What is the InChIKey of 2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is COTUTISHNMSVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-9-11-19-16(12)13(2)17-15-7-5-4-6-14(15)8-10-18-3/h4-7,9,11,13,17H,8,10H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 275.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 102848964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).