3-[1-(4-nitrophenyl)ethylamino]phenol

C14H14N2O3 — CID 43297394

IUPAC3-[1-(4-nitrophenyl)ethylamino]phenol
SMILESCC(Nc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3/c1-10(15-12-3-2-4-14(17)9-12)11-5-7-13(8-6-11)16(18)19/h2-10,15,17H,1H3
InChIKeyYWWQEUZUDBIRQA-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.47
Rot. Bonds4

About 3-[1-(4-nitrophenyl)ethylamino]phenol

3-[1-(4-nitrophenyl)ethylamino]phenol (PubChem CID 43297394) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-[1-(4-nitrophenyl)ethylamino]phenol.

Molecular Properties

Compound Name3-[1-(4-nitrophenyl)ethylamino]phenol
PubChem CID43297394
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-[1-(4-nitrophenyl)ethylamino]phenol
SMILESCC(Nc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3/c1-10(15-12-3-2-4-14(17)9-12)11-5-7-13(8-6-11)16(18)19/h2-10,15,17H,1H3
InChIKeyYWWQEUZUDBIRQA-UHFFFAOYSA-N
XLogP3.47
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.47
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

N-[1-(4-nitrophenyl)ethyl]-3-propan-2-ylaniline
CID 43297372
3-methylsulfanyl-N-[1-(4-nitrophenyl)ethyl]aniline
CID 43297261
N-[1-(4-methylphenyl)ethyl]-3-nitroaniline
CID 43718027
3-[1-(4-bromophenyl)ethylamino]phenol
CID 43206955
3-[1-(4-methoxyphenyl)ethylamino]phenol
CID 43206982
3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol
CID 43207017
N-[1-(3,4-dimethylphenyl)ethyl]-3-nitroaniline
CID 43717983
4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline
CID 62810884
3-[1-(4-methyl-3-nitroanilino)ethyl]phenol
CID 43718388
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
CID 30226768
4-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]aniline
CID 101388869
3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-nitrophenyl)ethylamino]phenol?
The IUPAC name of 3-[1-(4-nitrophenyl)ethylamino]phenol (CID 43297394) is 3-[1-(4-nitrophenyl)ethylamino]phenol.
What is the SMILES notation for 3-[1-(4-nitrophenyl)ethylamino]phenol?
The canonical SMILES for 3-[1-(4-nitrophenyl)ethylamino]phenol is CC(Nc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-[1-(4-nitrophenyl)ethylamino]phenol?
The InChIKey is YWWQEUZUDBIRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10(15-12-3-2-4-14(17)9-12)11-5-7-13(8-6-11)16(18)19/h2-10,15,17H,1H3.
What are the key properties of 3-[1-(4-nitrophenyl)ethylamino]phenol?
3-[1-(4-nitrophenyl)ethylamino]phenol has a molecular weight of 258.28 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-nitrophenyl)ethylamino]phenol is sourced from PubChem (CID 43297394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).