4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline

C16H22N2OS — CID 60944044

IUPAC4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(CNc2ccc(OCCN(C)C)cc2)s1
InChIInChI=1S/C16H22N2OS/c1-13-4-9-16(20-13)12-17-14-5-7-15(8-6-14)19-11-10-18(2)3/h4-9,17H,10-12H2,1-3H3
InChIKeyQTOIYFKHIDURAW-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.61
Rot. Bonds7

About 4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline

4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline (PubChem CID 60944044) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline
PubChem CID60944044
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(CNc2ccc(OCCN(C)C)cc2)s1
InChIInChI=1S/C16H22N2OS/c1-13-4-9-16(20-13)12-17-14-5-7-15(8-6-14)19-11-10-18(2)3/h4-9,17H,10-12H2,1-3H3
InChIKeyQTOIYFKHIDURAW-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.61
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

3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide
CID 43676520
4-[2-(dimethylamino)ethoxy]-N-(furan-2-ylmethyl)aniline
CID 54863892
4-[2-(dimethylamino)ethoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 82539184
4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
CID 60942297
N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
CID 60942295
[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol
CID 64591781
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 18778448
4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
CID 82539793
N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 62057971
3-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60940843
4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline
CID 106675367
1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol
CID 168638697

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline (CID 60944044) is 4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline is Cc1ccc(CNc2ccc(OCCN(C)C)cc2)s1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline?
The InChIKey is QTOIYFKHIDURAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-13-4-9-16(20-13)12-17-14-5-7-15(8-6-14)19-11-10-18(2)3/h4-9,17H,10-12H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline?
4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline has a molecular weight of 290.43 g/mol, XLogP of 3.61, 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-[(5-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 60944044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).