N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine

C16H18N2O2 — CID 3028333

IUPACN,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine
SMILESCN(C)C(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-17(2)16(14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)18(19)20/h3-11,16H,12H2,1-2H3
InChIKeyASQUPOGMQDOSRJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.44
Rot. Bonds5

About N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine

N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine (PubChem CID 3028333) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine
PubChem CID3028333
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine
SMILESCN(C)C(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-17(2)16(14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)18(19)20/h3-11,16H,12H2,1-2H3
InChIKeyASQUPOGMQDOSRJ-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
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

[(1S)-2-(4-nitrophenyl)-1-phenylethyl] hydrogen carbonate
CID 155682316
2-(dimethylamino)-3-(4-nitrophenyl)-1-phenylpropan-1-one
CID 12727858
4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride
CID 24847056
1-ethyl-4-nitrobenzene;1-phenylethylbenzene
CID 145486394
N-(1,2-diphenylethyl)-1-(4-nitrophenyl)methanesulfonamide
CID 55598670
2-N,2-N-dimethyl-3-(4-nitrophenyl)propane-1,2-diamine
CID 152755042
(1R)-N'-(2-chloro-4-nitrophenyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 7834758
1-nitro-4-(1-phenylethyl)benzene
CID 11790935
3-[methyl-[(4-nitrophenyl)methyl]amino]-1-phenylpropan-1-ol
CID 141224806
1-[2-(dimethylamino)-1-phenylethyl]-3-(4-nitrophenyl)urea
CID 86910236
2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
CID 2726136
N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine?
The IUPAC name of N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine (CID 3028333) is N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine is CN(C)C(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine?
The InChIKey is ASQUPOGMQDOSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17(2)16(14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)18(19)20/h3-11,16H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine?
N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine has a molecular weight of 270.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine is sourced from PubChem (CID 3028333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).