2-(1-nitroso-2-phenylethyl)aniline

C14H14N2O — CID 90885129

IUPAC2-(1-nitroso-2-phenylethyl)aniline
SMILESNc1ccccc1C(Cc1ccccc1)N=O
InChIInChI=1S/C14H14N2O/c15-13-9-5-4-8-12(13)14(16-17)10-11-6-2-1-3-7-11/h1-9,14H,10,15H2
InChIKeyCWFHFNZOFDIGMR-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.32
Rot. Bonds4

About 2-(1-nitroso-2-phenylethyl)aniline

2-(1-nitroso-2-phenylethyl)aniline (PubChem CID 90885129) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(1-nitroso-2-phenylethyl)aniline.

Molecular Properties

Compound Name2-(1-nitroso-2-phenylethyl)aniline
PubChem CID90885129
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-(1-nitroso-2-phenylethyl)aniline
SMILESNc1ccccc1C(Cc1ccccc1)N=O
InChIInChI=1S/C14H14N2O/c15-13-9-5-4-8-12(13)14(16-17)10-11-6-2-1-3-7-11/h1-9,14H,10,15H2
InChIKeyCWFHFNZOFDIGMR-UHFFFAOYSA-N
XLogP3.32
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-(1-nitroso-2-phenylethyl)benzene
CID 90939513
1-methoxy-4-(1-nitroso-2-phenylethyl)benzene
CID 91063046
1-(2-aminophenyl)-2-(4-bromophenyl)ethanol
CID 64832586
1,3-diphenylpropan-2-ylsilane
CID 123615026
4,4-bis(2-aminophenyl)butanoic acid
CID 139607855
2-amino-3-phenylpropanoic acid;nitrous acid
CID 54766273
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
(2S)-2-bromo-3-phenylpropanoyl chloride
CID 87208582
2-[1-(benzylamino)propyl]aniline
CID 12628946
1-[2-amino-5-[1-[4-amino-3-(1-hydroxy-2-phenylethyl)phenyl]-2-phenylethyl]phenyl]-2-phenylethanol
CID 89000930
1-(2-amino-5-phenylphenyl)-2-phenylethanol
CID 83988029

Frequently Asked Questions

What is the IUPAC name of 2-(1-nitroso-2-phenylethyl)aniline?
The IUPAC name of 2-(1-nitroso-2-phenylethyl)aniline (CID 90885129) is 2-(1-nitroso-2-phenylethyl)aniline.
What is the SMILES notation for 2-(1-nitroso-2-phenylethyl)aniline?
The canonical SMILES for 2-(1-nitroso-2-phenylethyl)aniline is Nc1ccccc1C(Cc1ccccc1)N=O.
What is the InChIKey of 2-(1-nitroso-2-phenylethyl)aniline?
The InChIKey is CWFHFNZOFDIGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c15-13-9-5-4-8-12(13)14(16-17)10-11-6-2-1-3-7-11/h1-9,14H,10,15H2.
What are the key properties of 2-(1-nitroso-2-phenylethyl)aniline?
2-(1-nitroso-2-phenylethyl)aniline has a molecular weight of 226.28 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nitroso-2-phenylethyl)aniline is sourced from PubChem (CID 90885129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).