2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol

C11H15ClN2O3 — CID 19983648

IUPAC2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol
SMILESCC(C)(C)CNc1cc([N+](=O)[O-])cc(Cl)c1O
InChIInChI=1S/C11H15ClN2O3/c1-11(2,3)6-13-9-5-7(14(16)17)4-8(12)10(9)15/h4-5,13,15H,6H2,1-3H3
InChIKeyWGXKBRJXUXFKGM-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.41
Rot. Bonds3

About 2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol

2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol (PubChem CID 19983648) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol.

Molecular Properties

Compound Name2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol
PubChem CID19983648
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol
SMILESCC(C)(C)CNc1cc([N+](=O)[O-])cc(Cl)c1O
InChIInChI=1S/C11H15ClN2O3/c1-11(2,3)6-13-9-5-7(14(16)17)4-8(12)10(9)15/h4-5,13,15H,6H2,1-3H3
InChIKeyWGXKBRJXUXFKGM-UHFFFAOYSA-N
XLogP3.41
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

N-tert-butyl-3-chloro-2-hydroxy-5-nitrobenzenesulfonamide
CID 19966612
3-(3-chloro-2-hydroxy-5-nitroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558756
2-chloro-6-ethoxy-4-nitrophenol
CID 71327079
N-(2,2-dimethylpropyl)-2-fluoro-4-nitroaniline
CID 61167832
1-(2,6-dichloro-4-nitroanilino)-2-methylpentan-2-ol
CID 106290754
2-[(2-chloro-4-nitroanilino)methyl]-2-ethylbutanoic acid
CID 115430067
N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 28543307
4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1-methylpyrazole-5-carboxamide
CID 3117880
2-chloro-4-nitro-6-(1,2,4-triazol-4-yl)phenol
CID 91679020
6-N-(2,2-dimethylpropyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071107
N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1-methylpyrazole-3-carboxamide
CID 3421067
2-chloro-N-ethyl-5-nitroaniline
CID 43718971

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol?
The IUPAC name of 2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol (CID 19983648) is 2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol.
What is the SMILES notation for 2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol?
The canonical SMILES for 2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol is CC(C)(C)CNc1cc([N+](=O)[O-])cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol?
The InChIKey is WGXKBRJXUXFKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-11(2,3)6-13-9-5-7(14(16)17)4-8(12)10(9)15/h4-5,13,15H,6H2,1-3H3.
What are the key properties of 2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol?
2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol has a molecular weight of 258.70 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,2-dimethylpropylamino)-4-nitrophenol is sourced from PubChem (CID 19983648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).