4-[2-(2-nitroanilino)ethyl]phenol

C14H14N2O3 — CID 47361180

IUPAC4-[2-(2-nitroanilino)ethyl]phenol
SMILESO=[N+]([O-])c1ccccc1NCCc1ccc(O)cc1
InChIInChI=1S/C14H14N2O3/c17-12-7-5-11(6-8-12)9-10-15-13-3-1-2-4-14(13)16(18)19/h1-8,15,17H,9-10H2
InChIKeyCLUFVYRIARCAJE-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.95
Rot. Bonds5

About 4-[2-(2-nitroanilino)ethyl]phenol

4-[2-(2-nitroanilino)ethyl]phenol (PubChem CID 47361180) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[2-(2-nitroanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(2-nitroanilino)ethyl]phenol
PubChem CID47361180
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-[2-(2-nitroanilino)ethyl]phenol
SMILESO=[N+]([O-])c1ccccc1NCCc1ccc(O)cc1
InChIInChI=1S/C14H14N2O3/c17-12-7-5-11(6-8-12)9-10-15-13-3-1-2-4-14(13)16(18)19/h1-8,15,17H,9-10H2
InChIKeyCLUFVYRIARCAJE-UHFFFAOYSA-N
XLogP2.95
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[(2-nitroanilino)methyl]phenol
CID 43425831
N,N'-bis(2-nitrophenyl)octane-1,8-diamine
CID 71442066
N,N'-bis(2-nitrophenyl)pentane-1,5-diamine
CID 86062096
N-[2-(2-nitroanilino)ethyl]-3-phenylpropanamide
CID 9278055
1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-nitrophenyl)urea
CID 46513800
2-(2-nitroanilino)ethylazanium iodide
CID 158180928
2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline
CID 19710464
4-[2-(2-methylsulfonylanilino)ethyl]phenol
CID 61237844
4-bromo-2-nitro-N-(2-phenylethyl)aniline
CID 24902950
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 104696049
1-(2-nitroanilino)-3-(2-phenylethyl)thiourea
CID 5239078
N-(2-methylsulfanylethyl)-2-nitroaniline
CID 57436053

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-nitroanilino)ethyl]phenol?
The IUPAC name of 4-[2-(2-nitroanilino)ethyl]phenol (CID 47361180) is 4-[2-(2-nitroanilino)ethyl]phenol.
What is the SMILES notation for 4-[2-(2-nitroanilino)ethyl]phenol?
The canonical SMILES for 4-[2-(2-nitroanilino)ethyl]phenol is O=[N+]([O-])c1ccccc1NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-(2-nitroanilino)ethyl]phenol?
The InChIKey is CLUFVYRIARCAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-12-7-5-11(6-8-12)9-10-15-13-3-1-2-4-14(13)16(18)19/h1-8,15,17H,9-10H2.
What are the key properties of 4-[2-(2-nitroanilino)ethyl]phenol?
4-[2-(2-nitroanilino)ethyl]phenol has a molecular weight of 258.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-nitroanilino)ethyl]phenol is sourced from PubChem (CID 47361180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).