3-nitro-4-(1-phenylpropylamino)phenol

C15H16N2O3 — CID 43750945

IUPAC3-nitro-4-(1-phenylpropylamino)phenol
SMILESCCC(Nc1ccc(O)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-2-13(11-6-4-3-5-7-11)16-14-9-8-12(18)10-15(14)17(19)20/h3-10,13,16,18H,2H2,1H3
InChIKeyOUIORQGAINMCLF-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.86
Rot. Bonds5

About 3-nitro-4-(1-phenylpropylamino)phenol

3-nitro-4-(1-phenylpropylamino)phenol (PubChem CID 43750945) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-nitro-4-(1-phenylpropylamino)phenol.

Molecular Properties

Compound Name3-nitro-4-(1-phenylpropylamino)phenol
PubChem CID43750945
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-nitro-4-(1-phenylpropylamino)phenol
SMILESCCC(Nc1ccc(O)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-2-13(11-6-4-3-5-7-11)16-14-9-8-12(18)10-15(14)17(19)20/h3-10,13,16,18H,2H2,1H3
InChIKeyOUIORQGAINMCLF-UHFFFAOYSA-N
XLogP3.86
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

4-[1-(3-bromophenyl)propylamino]-3-nitrophenol
CID 43792213
4-iodo-2-nitro-N-(1-phenylpropyl)aniline
CID 66066089
4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol
CID 115994326
4-[1-(4-fluoro-2-nitroanilino)propyl]phenol
CID 43685294
4-[1-(4-chloro-2-nitroanilino)propyl]phenol
CID 43686336
4-bromo-5-fluoro-2-nitro-N-(1-phenylpropyl)aniline
CID 66111065
(2S)-2-(4-methylsulfonyl-2-nitroanilino)-2-phenylethanol
CID 95317522
N-[1-(4-bromophenyl)propyl]-2-nitroaniline
CID 43218014
N-[1-(4-bromophenyl)propyl]-4-chloro-2-nitroaniline
CID 43218013
2-(2-nitroanilino)-2-phenylethanol
CID 24950496
4-(heptan-2-ylamino)-3-nitrophenol
CID 43750764
4-chloro-3-nitro-N-(1-phenylpropyl)aniline
CID 43719522

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(1-phenylpropylamino)phenol?
The IUPAC name of 3-nitro-4-(1-phenylpropylamino)phenol (CID 43750945) is 3-nitro-4-(1-phenylpropylamino)phenol.
What is the SMILES notation for 3-nitro-4-(1-phenylpropylamino)phenol?
The canonical SMILES for 3-nitro-4-(1-phenylpropylamino)phenol is CCC(Nc1ccc(O)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 3-nitro-4-(1-phenylpropylamino)phenol?
The InChIKey is OUIORQGAINMCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-13(11-6-4-3-5-7-11)16-14-9-8-12(18)10-15(14)17(19)20/h3-10,13,16,18H,2H2,1H3.
What are the key properties of 3-nitro-4-(1-phenylpropylamino)phenol?
3-nitro-4-(1-phenylpropylamino)phenol has a molecular weight of 272.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(1-phenylpropylamino)phenol is sourced from PubChem (CID 43750945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).