4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

C17H24N2OS — CID 63991282

IUPAC4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccsc1C(C)Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C17H24N2OS/c1-13-9-12-21-17(13)14(2)18-15-5-7-16(8-6-15)20-11-10-19(3)4/h5-9,12,14,18H,10-11H2,1-4H3
InChIKeyGNWVLLIAHGKULL-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.17
Rot. Bonds7

About 4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (PubChem CID 63991282) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
PubChem CID63991282
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccsc1C(C)Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C17H24N2OS/c1-13-9-12-21-17(13)14(2)18-15-5-7-16(8-6-15)20-11-10-19(3)4/h5-9,12,14,18H,10-11H2,1-4H3
InChIKeyGNWVLLIAHGKULL-UHFFFAOYSA-N
XLogP4.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-bromothiophen-2-yl)ethyl]-4-[2-(dimethylamino)ethoxy]aniline
CID 60999617
3-[2-(dimethylamino)ethoxy]-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43786044
4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline
CID 54863929
4-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63991012
4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993026
N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 63992889
N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 63993060
N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline
CID 63990671
1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine
CID 82946292
4-[2-(dimethylamino)ethoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 82539184
N-[1-(3-methylthiophen-2-yl)ethyl]-4-piperidin-1-ylaniline
CID 63992461
2-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]propanenitrile
CID 63991844

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (CID 63991282) is 4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is Cc1ccsc1C(C)Nc1ccc(OCCN(C)C)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is GNWVLLIAHGKULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-13-9-12-21-17(13)14(2)18-15-5-7-16(8-6-15)20-11-10-19(3)4/h5-9,12,14,18H,10-11H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 304.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 63991282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).