5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline

C11H15ClN2O3 — CID 22922509

IUPAC5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline
SMILESCOCC(C)(C)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN2O3/c1-11(2,7-17-3)13-9-6-8(12)4-5-10(9)14(15)16/h4-6,13H,7H2,1-3H3
InChIKeyWSBGFTHVDUYXGW-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.09
Rot. Bonds5

About 5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline

5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline (PubChem CID 22922509) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline.

Molecular Properties

Compound Name5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline
PubChem CID22922509
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline
SMILESCOCC(C)(C)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN2O3/c1-11(2,7-17-3)13-9-6-8(12)4-5-10(9)14(15)16/h4-6,13H,7H2,1-3H3
InChIKeyWSBGFTHVDUYXGW-UHFFFAOYSA-N
XLogP3.09
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.09
H-Bond Donors ≤ 51
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

3-(5-chloro-2-nitroanilino)-3-methylbutanoic acid
CID 115469389
3-(5-chloro-2-nitroanilino)-2,3-dimethylbutan-2-ol
CID 106185345
5-chloro-N-(2,3-dimethoxypropyl)-2-nitroaniline
CID 114100735
2-(4-chloro-2-nitroanilino)-2-methylpropan-1-ol
CID 2829608
2-(5-chloro-2-nitroanilino)-3-methoxypropan-1-ol
CID 114155543
N-bromo-5-chloro-2-nitroaniline
CID 150892624
4-chloro-N-(2-methoxyethyl)-2-nitroaniline
CID 28542742
5-chloro-N-(1-methoxypentan-2-yl)-2-nitroaniline
CID 115469706
5-chloro-N-[2-(4-methoxyphenyl)ethyl]-2-nitroaniline
CID 115469569
5-chloro-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 113315986
5-chloro-N-hexyl-2-nitroaniline
CID 43685977
2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide
CID 81082919

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline?
The IUPAC name of 5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline (CID 22922509) is 5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline.
What is the SMILES notation for 5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline?
The canonical SMILES for 5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline is COCC(C)(C)Nc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline?
The InChIKey is WSBGFTHVDUYXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-11(2,7-17-3)13-9-6-8(12)4-5-10(9)14(15)16/h4-6,13H,7H2,1-3H3.
What are the key properties of 5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline?
5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline has a molecular weight of 258.70 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline is sourced from PubChem (CID 22922509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).