2-(2-nitroanilino)-2-phenylethanol

C14H14N2O3 — CID 24950496

IUPAC2-(2-nitroanilino)-2-phenylethanol
SMILESO=[N+]([O-])c1ccccc1NC(CO)c1ccccc1
InChIInChI=1S/C14H14N2O3/c17-10-13(11-6-2-1-3-7-11)15-12-8-4-5-9-14(12)16(18)19/h1-9,13,15,17H,10H2
InChIKeyATKUJXZWUKRLIQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.74
Rot. Bonds5

About 2-(2-nitroanilino)-2-phenylethanol

2-(2-nitroanilino)-2-phenylethanol (PubChem CID 24950496) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(2-nitroanilino)-2-phenylethanol.

Molecular Properties

Compound Name2-(2-nitroanilino)-2-phenylethanol
PubChem CID24950496
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(2-nitroanilino)-2-phenylethanol
SMILESO=[N+]([O-])c1ccccc1NC(CO)c1ccccc1
InChIInChI=1S/C14H14N2O3/c17-10-13(11-6-2-1-3-7-11)15-12-8-4-5-9-14(12)16(18)19/h1-9,13,15,17H,10H2
InChIKeyATKUJXZWUKRLIQ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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

(2S)-2-(4-methylsulfonyl-2-nitroanilino)-2-phenylethanol
CID 95317522
methyl (E)-3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-3-nitrophenyl]prop-2-enoate
CID 95278467
(2S)-2-(2-nitroanilino)butan-1-ol
CID 51680957
N-[(1S)-2-hydroxy-1-phenylethyl]-2-nitrobenzamide
CID 103945109
2-[(1-methyl-4-nitropyrazol-3-yl)amino]-2-phenylethanol
CID 103079907
N-[1-(4-bromophenyl)propyl]-2-nitroaniline
CID 43218014
2-nitro-N-[2-(oxolan-3-yl)-1-phenylethyl]aniline
CID 133413500
(2S)-2-[(4-amino-5-nitropyrimidin-2-yl)amino]-2-phenylethanol
CID 95346615
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-nitrophenyl)urea
CID 42919236
3-nitro-4-(1-phenylpropylamino)phenol
CID 43750945
2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol
CID 102770772
(2S)-2-(2-bromoanilino)-2-phenylethanol
CID 135041919

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroanilino)-2-phenylethanol?
The IUPAC name of 2-(2-nitroanilino)-2-phenylethanol (CID 24950496) is 2-(2-nitroanilino)-2-phenylethanol.
What is the SMILES notation for 2-(2-nitroanilino)-2-phenylethanol?
The canonical SMILES for 2-(2-nitroanilino)-2-phenylethanol is O=[N+]([O-])c1ccccc1NC(CO)c1ccccc1.
What is the InChIKey of 2-(2-nitroanilino)-2-phenylethanol?
The InChIKey is ATKUJXZWUKRLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-10-13(11-6-2-1-3-7-11)15-12-8-4-5-9-14(12)16(18)19/h1-9,13,15,17H,10H2.
What are the key properties of 2-(2-nitroanilino)-2-phenylethanol?
2-(2-nitroanilino)-2-phenylethanol has a molecular weight of 258.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroanilino)-2-phenylethanol is sourced from PubChem (CID 24950496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).