N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine

C16H18N2O2 — CID 12915155

IUPACN-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
SMILESCCNC(Cc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-17-15(13-8-4-3-5-9-13)12-14-10-6-7-11-16(14)18(19)20/h3-11,15,17H,2,12H2,1H3
InChIKeyYOXYVDLTOHCQLJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.49
Rot. Bonds6

About N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine

N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine (PubChem CID 12915155) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
PubChem CID12915155
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
SMILESCCNC(Cc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-17-15(13-8-4-3-5-9-13)12-14-10-6-7-11-16(14)18(19)20/h3-11,15,17H,2,12H2,1H3
InChIKeyYOXYVDLTOHCQLJ-UHFFFAOYSA-N
XLogP3.49
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
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-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
N-ethyl-1-(furan-2-yl)-2-(2-nitrophenyl)ethanamine
CID 61065322
N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine
CID 2851831
N-(cyclohexylmethyl)-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915162
N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
CID 61078233
1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61078222
N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine
CID 61064607
(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
CID 28564784
N-methyl-1-(4-methylsulfanylphenyl)-2-(2-nitrophenyl)ethanamine
CID 79213455
N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine
CID 30789921
3-[(2-nitrophenyl)methylamino]-3-phenylpropanenitrile
CID 62778720
N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine
CID 63199809

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine?
The IUPAC name of N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine (CID 12915155) is N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine is CCNC(Cc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine?
The InChIKey is YOXYVDLTOHCQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-17-15(13-8-4-3-5-9-13)12-14-10-6-7-11-16(14)18(19)20/h3-11,15,17H,2,12H2,1H3.
What are the key properties of N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine?
N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine has a molecular weight of 270.33 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine is sourced from PubChem (CID 12915155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).