2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline

C15H26N2O — CID 54957910

IUPAC2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline
SMILESCC(C)OCCN(Cc1ccccc1N)C(C)C
InChIInChI=1S/C15H26N2O/c1-12(2)17(9-10-18-13(3)4)11-14-7-5-6-8-15(14)16/h5-8,12-13H,9-11,16H2,1-4H3
InChIKeyAXSJTWNGNOCQIZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.90
Rot. Bonds7

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

2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline (PubChem CID 54957910) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline
PubChem CID54957910
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline
SMILESCC(C)OCCN(Cc1ccccc1N)C(C)C
InChIInChI=1S/C15H26N2O/c1-12(2)17(9-10-18-13(3)4)11-14-7-5-6-8-15(14)16/h5-8,12-13H,9-11,16H2,1-4H3
InChIKeyAXSJTWNGNOCQIZ-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.90
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

4-[(2-aminophenyl)methyl-propan-2-ylamino]-2,2-dimethylbutanenitrile
CID 65252977
2-[[(4-fluorophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460424
2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384073
5-[(2-aminophenyl)methyl-propan-2-ylamino]-2,2-dimethylpentanenitrile
CID 65255928
3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
CID 81062073
2-[[(5-chlorothiophen-2-yl)methyl-propan-2-ylamino]methyl]aniline
CID 43460472
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-methylacetamide
CID 43460418
2-[[(5-bromothiophen-2-yl)methyl-propan-2-ylamino]methyl]aniline
CID 43460471
2-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646264
2-[[ethyl(pentan-2-yl)amino]methyl]aniline
CID 107891825
2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460476
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82949298

Frequently Asked Questions

What is the IUPAC name of 2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline?
The IUPAC name of 2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline (CID 54957910) is 2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline is CC(C)OCCN(Cc1ccccc1N)C(C)C.
What is the InChIKey of 2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline?
The InChIKey is AXSJTWNGNOCQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)17(9-10-18-13(3)4)11-14-7-5-6-8-15(14)16/h5-8,12-13H,9-11,16H2,1-4H3.
What are the key properties of 2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline?
2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline has a molecular weight of 250.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline is sourced from PubChem (CID 54957910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).