N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine

C16H18N2O2 — CID 43297246

IUPACN-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
SMILESCC(NC(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-12(14-6-4-3-5-7-14)17-13(2)15-8-10-16(11-9-15)18(19)20/h3-13,17H,1-2H3
InChIKeyAVCJVOFKULGWEL-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.01
Rot. Bonds5

About N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine

N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine (PubChem CID 43297246) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
PubChem CID43297246
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
SMILESCC(NC(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-12(14-6-4-3-5-7-14)17-13(2)15-8-10-16(11-9-15)18(19)20/h3-13,17H,1-2H3
InChIKeyAVCJVOFKULGWEL-UHFFFAOYSA-N
XLogP4.01
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.01
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

(2S)-2-[1-(4-nitrophenyl)ethylamino]-2-phenylethanol
CID 103784100
1-nitro-4-(1-phenylethyl)benzene
CID 11790935
N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 43297355
N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 81403263
4-nitro-N-(1-phenylethyl)benzenesulfonamide
CID 625966
1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
CID 62405360
2-(3-nitrophenyl)-2-(1-phenylethylamino)acetonitrile
CID 84817247
(4-nitrophenyl)-phenylmethanamine
CID 19975165
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
CID 2726136
N-[1-(4-nitrophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749027
N-[1-(4-nitrophenyl)ethyl]-3-phenylpropan-1-amine
CID 43297352

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine?
The IUPAC name of N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine (CID 43297246) is N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine.
What is the SMILES notation for N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine?
The canonical SMILES for N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine is CC(NC(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine?
The InChIKey is AVCJVOFKULGWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(14-6-4-3-5-7-14)17-13(2)15-8-10-16(11-9-15)18(19)20/h3-13,17H,1-2H3.
What are the key properties of N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine?
N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine has a molecular weight of 270.33 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 43297246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).