N,N-diethyl-4-(4-nitrophenyl)aniline

C16H18N2O2 — CID 21449597

IUPACN,N-diethyl-4-(4-nitrophenyl)aniline
SMILESCCN(CC)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-3-17(4-2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(19)20/h5-12H,3-4H2,1-2H3
InChIKeySCCPBKSRCSCELY-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.11
Rot. Bonds5

About N,N-diethyl-4-(4-nitrophenyl)aniline

N,N-diethyl-4-(4-nitrophenyl)aniline (PubChem CID 21449597) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N,N-diethyl-4-(4-nitrophenyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(4-nitrophenyl)aniline
PubChem CID21449597
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN,N-diethyl-4-(4-nitrophenyl)aniline
SMILESCCN(CC)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-3-17(4-2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(19)20/h5-12H,3-4H2,1-2H3
InChIKeySCCPBKSRCSCELY-UHFFFAOYSA-N
XLogP4.11
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-4-nitroanilino)methanol
CID 19938996
4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline
CID 59757686
N'-ethyl-N'-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethane-1,2-diamine
CID 90277351
N-butyl-N-ethyl-4-[2-(4-nitrophenyl)ethenyl]aniline
CID 67941461
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde
CID 10913969
N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2,2,2-trifluoroethyl)aniline
CID 71367494
4-[(2,4-dinitrophenyl)iminomethyl]-N,N-diethylaniline
CID 102398892
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N-[(2-chloro-5-nitrophenyl)methyl]-N-ethyl-4-methylaniline
CID 63479547
N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide
CID 135083407
N-(2-methylpropyl)-N-[4-(4-nitrophenyl)phenyl]nitramide
CID 135083410
N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline
CID 102365331

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-nitrophenyl)aniline?
The IUPAC name of N,N-diethyl-4-(4-nitrophenyl)aniline (CID 21449597) is N,N-diethyl-4-(4-nitrophenyl)aniline.
What is the SMILES notation for N,N-diethyl-4-(4-nitrophenyl)aniline?
The canonical SMILES for N,N-diethyl-4-(4-nitrophenyl)aniline is CCN(CC)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N,N-diethyl-4-(4-nitrophenyl)aniline?
The InChIKey is SCCPBKSRCSCELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-17(4-2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(19)20/h5-12H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-(4-nitrophenyl)aniline?
N,N-diethyl-4-(4-nitrophenyl)aniline has a molecular weight of 270.33 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-nitrophenyl)aniline is sourced from PubChem (CID 21449597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).