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

C15H20N2S — CID 43384073

IUPAC2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
SMILESCC(C)N(Cc1cccs1)Cc1ccccc1N
InChIInChI=1S/C15H20N2S/c1-12(2)17(11-14-7-5-9-18-14)10-13-6-3-4-8-15(13)16/h3-9,12H,10-11,16H2,1-2H3
InChIKeyHRMGFKZARFXRCU-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.74
Rot. Bonds5

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

2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline (PubChem CID 43384073) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
PubChem CID43384073
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
SMILESCC(C)N(Cc1cccs1)Cc1ccccc1N
InChIInChI=1S/C15H20N2S/c1-12(2)17(11-14-7-5-9-18-14)10-13-6-3-4-8-15(13)16/h3-9,12H,10-11,16H2,1-2H3
InChIKeyHRMGFKZARFXRCU-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(5-bromothiophen-2-yl)methyl-propan-2-ylamino]methyl]aniline
CID 43460471
2-[[(5-chlorothiophen-2-yl)methyl-propan-2-ylamino]methyl]aniline
CID 43460472
2-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646264
2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline
CID 61452973
1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62265973
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
2-[[(4-fluorophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460424
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191
2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460476
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 102770501

Frequently Asked Questions

What is the IUPAC name of 2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline?
The IUPAC name of 2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline (CID 43384073) is 2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline is CC(C)N(Cc1cccs1)Cc1ccccc1N.
What is the InChIKey of 2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline?
The InChIKey is HRMGFKZARFXRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(2)17(11-14-7-5-9-18-14)10-13-6-3-4-8-15(13)16/h3-9,12H,10-11,16H2,1-2H3.
What are the key properties of 2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline?
2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline has a molecular weight of 260.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 43384073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).