2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline

C16H22N2OS — CID 61452973

IUPAC2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline
SMILESCC(C)N(CCOc1ccccc1N)Cc1cccs1
InChIInChI=1S/C16H22N2OS/c1-13(2)18(12-14-6-5-11-20-14)9-10-19-16-8-4-3-7-15(16)17/h3-8,11,13H,9-10,12,17H2,1-2H3
InChIKeyCMJINNFJCDFSOG-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.62
Rot. Bonds7

About 2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline

2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline (PubChem CID 61452973) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline.

Molecular Properties

Compound Name2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline
PubChem CID61452973
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline
SMILESCC(C)N(CCOc1ccccc1N)Cc1cccs1
InChIInChI=1S/C16H22N2OS/c1-13(2)18(12-14-6-5-11-20-14)9-10-19-16-8-4-3-7-15(16)17/h3-8,11,13H,9-10,12,17H2,1-2H3
InChIKeyCMJINNFJCDFSOG-UHFFFAOYSA-N
XLogP3.62
TPSA38.49 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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384073
1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62265973
2-[3-(2-aminophenoxy)propyl-propan-2-ylamino]ethanol
CID 54996120
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969
1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 63321804
1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623242
2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline
CID 107869353
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 78951125
3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 43530885

Frequently Asked Questions

What is the IUPAC name of 2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline?
The IUPAC name of 2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline (CID 61452973) is 2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline.
What is the SMILES notation for 2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline?
The canonical SMILES for 2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline is CC(C)N(CCOc1ccccc1N)Cc1cccs1.
What is the InChIKey of 2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline?
The InChIKey is CMJINNFJCDFSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-13(2)18(12-14-6-5-11-20-14)9-10-19-16-8-4-3-7-15(16)17/h3-8,11,13H,9-10,12,17H2,1-2H3.
What are the key properties of 2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline?
2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline has a molecular weight of 290.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline is sourced from PubChem (CID 61452973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).