1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol

C15H16N2O3 — CID 141052687

IUPAC1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol
SMILESCc1ccc(Nc2ccc(C(C)O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O3/c1-10-3-8-14(15(9-10)17(19)20)16-13-6-4-12(5-7-13)11(2)18/h3-9,11,16,18H,1-2H3
InChIKeySCKKLCXTPFJCIP-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.70
Rot. Bonds4

About 1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol

1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol (PubChem CID 141052687) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol
PubChem CID141052687
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol
SMILESCc1ccc(Nc2ccc(C(C)O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O3/c1-10-3-8-14(15(9-10)17(19)20)16-13-6-4-12(5-7-13)11(2)18/h3-9,11,16,18H,1-2H3
InChIKeySCKKLCXTPFJCIP-UHFFFAOYSA-N
XLogP3.70
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.70
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

1-[4-(2,4-dinitroanilino)phenyl]ethanol
CID 141052609
4-(4-methyl-2-nitroanilino)benzoic acid
CID 43172016
carbon dioxide;4-methyl-2-nitro-N-phenylaniline
CID 91236628
4-bromo-N-(4-methylphenyl)-2-nitroaniline
CID 63463973
N-(4-methylphenyl)-2-nitro-4-(trifluoromethyl)aniline
CID 3090532
2-methyl-5-(4-methyl-2-nitroanilino)benzoic acid
CID 63654393
methyl N-methyl-N-[4-(4-methyl-2-nitroanilino)phenyl]carbamate
CID 133389358
(1S)-1-(4-methyl-2-nitrophenyl)ethanol
CID 155352153
2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine
CID 133389276
N-[1-(4-chlorophenyl)ethyl]-4-methyl-2-nitroaniline
CID 43718670
2-methyl-3-(4-methyl-2-nitroanilino)propan-1-ol
CID 65036562
N,4-dimethyl-2-nitroaniline;molecular hydrogen
CID 157192400

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol?
The IUPAC name of 1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol (CID 141052687) is 1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol.
What is the SMILES notation for 1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol?
The canonical SMILES for 1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol is Cc1ccc(Nc2ccc(C(C)O)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol?
The InChIKey is SCKKLCXTPFJCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-3-8-14(15(9-10)17(19)20)16-13-6-4-12(5-7-13)11(2)18/h3-9,11,16,18H,1-2H3.
What are the key properties of 1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol?
1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol has a molecular weight of 272.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol is sourced from PubChem (CID 141052687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).