4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline

C16H19N3O2 — CID 133454506

IUPAC4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline
SMILESCN(C)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H19N3O2/c1-18(2)12-11-13-3-5-14(6-4-13)17-15-7-9-16(10-8-15)19(20)21/h3-10,17H,11-12H2,1-2H3
InChIKeyYTGVMSABDJYZAU-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.44
Rot. Bonds6

About 4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline

4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline (PubChem CID 133454506) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline
PubChem CID133454506
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline
SMILESCN(C)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H19N3O2/c1-18(2)12-11-13-3-5-14(6-4-13)17-15-7-9-16(10-8-15)19(20)21/h3-10,17H,11-12H2,1-2H3
InChIKeyYTGVMSABDJYZAU-UHFFFAOYSA-N
XLogP3.44
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine
CID 142452006
N',N'-dimethyl-N-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 4721334
3-(4-chlorophenyl)-1-methyl-1-[2-(4-nitrophenyl)ethyl]urea
CID 3769604
1-[methyl-[2-(4-nitrophenyl)ethyl]amino]propan-2-one
CID 90972444
3-ethyl-1-methyl-1-[2-(4-nitrophenyl)ethyl]urea
CID 3802097
1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine
CID 67655342
4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide
CID 22012916
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
ethane;1-nitro-4-propylbenzene
CID 123575523
2-(4-nitrophenyl)ethylazanium nitrate
CID 140513510
N,N-dibenzyl-2-(4-nitrophenyl)ethanamine
CID 11057117
1-[2-(dimethylamino)ethyl]-3-[2-(4-nitroanilino)ethyl]thiourea
CID 8600444

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline (CID 133454506) is 4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline is CN(C)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline?
The InChIKey is YTGVMSABDJYZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18(2)12-11-13-3-5-14(6-4-13)17-15-7-9-16(10-8-15)19(20)21/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline?
4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline has a molecular weight of 285.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline is sourced from PubChem (CID 133454506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).