N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine

C16H18N2O2 — CID 43519927

IUPACN-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
SMILESO=[N+]([O-])c1ccc(CCNCCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c19-18(20)16-8-6-15(7-9-16)11-13-17-12-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2
InChIKeyFVUCJWNYDYBQSF-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.97
Rot. Bonds7

About N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine

N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine (PubChem CID 43519927) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
PubChem CID43519927
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
SMILESO=[N+]([O-])c1ccc(CCNCCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c19-18(20)16-8-6-15(7-9-16)11-13-17-12-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2
InChIKeyFVUCJWNYDYBQSF-UHFFFAOYSA-N
XLogP2.97
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-nitrophenyl)-N-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 17157962
2-(4-nitrophenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976525
N-[2-(4-nitrophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 62340877
4-[2-(4-nitrophenyl)ethylamino]butanoic acid
CID 43520095
3,3-dimethyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61221202
3-methylsulfinyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine
CID 113487445
N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine
CID 43519911
4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
5-[2-(4-nitrophenyl)ethylamino]pentan-1-ol
CID 62229014
N'-(2-chloro-4-nitrophenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 17158001
N-[2-(4-nitrophenyl)ethyl]formamide
CID 64992334
N-[2-[2-(4-nitrophenyl)ethylamino]ethyl]methanesulfonamide
CID 43545958

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine (CID 43519927) is N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine is O=[N+]([O-])c1ccc(CCNCCc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine?
The InChIKey is FVUCJWNYDYBQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-18(20)16-8-6-15(7-9-16)11-13-17-12-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2.
What are the key properties of N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine?
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine has a molecular weight of 270.33 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine is sourced from PubChem (CID 43519927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).