2-(4-aminophenyl)-N,N,2-trimethylpropanamide

C12H18N2O — CID 80556055

IUPAC2-(4-aminophenyl)-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O/c1-12(2,11(15)14(3)4)9-5-7-10(13)8-6-9/h5-8H,13H2,1-4H3
InChIKeyZSXYPRTVBPIZMK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.63
Rot. Bonds2

About 2-(4-aminophenyl)-N,N,2-trimethylpropanamide

2-(4-aminophenyl)-N,N,2-trimethylpropanamide (PubChem CID 80556055) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N,N,2-trimethylpropanamide
PubChem CID80556055
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(4-aminophenyl)-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O/c1-12(2,11(15)14(3)4)9-5-7-10(13)8-6-9/h5-8H,13H2,1-4H3
InChIKeyZSXYPRTVBPIZMK-UHFFFAOYSA-N
XLogP1.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
CID 80503099
2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide
CID 80556205
4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide
CID 90843045
2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide
CID 80555053
2-(4-chlorophenyl)-N,N,2-trimethylpropanamide
CID 71939020
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
2-(4-aminophenyl)-N-(cyclopropylmethyl)-N,2-dimethylpropanamide
CID 80556761
methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate
CID 80556809
2-(4-aminophenyl)-2-methylpropanamide;hydrochloride
CID 155973359
2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
CID 82546856
2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide
CID 80556874
2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide
CID 80556057

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N,N,2-trimethylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N,N,2-trimethylpropanamide (CID 80556055) is 2-(4-aminophenyl)-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N,N,2-trimethylpropanamide is CN(C)C(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N,N,2-trimethylpropanamide?
The InChIKey is ZSXYPRTVBPIZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,11(15)14(3)4)9-5-7-10(13)8-6-9/h5-8H,13H2,1-4H3.
What are the key properties of 2-(4-aminophenyl)-N,N,2-trimethylpropanamide?
2-(4-aminophenyl)-N,N,2-trimethylpropanamide has a molecular weight of 206.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N,N,2-trimethylpropanamide is sourced from PubChem (CID 80556055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).