3-(2-methylpropoxy)-2-nitroaniline

C10H14N2O3 — CID 80860372

IUPAC3-(2-methylpropoxy)-2-nitroaniline
SMILESCC(C)COc1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O3/c1-7(2)6-15-9-5-3-4-8(11)10(9)12(13)14/h3-5,7H,6,11H2,1-2H3
InChIKeyHNQHWWMUYLNSME-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.21
Rot. Bonds4

About 3-(2-methylpropoxy)-2-nitroaniline

3-(2-methylpropoxy)-2-nitroaniline (PubChem CID 80860372) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-2-nitroaniline.

Molecular Properties

Compound Name3-(2-methylpropoxy)-2-nitroaniline
PubChem CID80860372
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(2-methylpropoxy)-2-nitroaniline
SMILESCC(C)COc1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O3/c1-7(2)6-15-9-5-3-4-8(11)10(9)12(13)14/h3-5,7H,6,11H2,1-2H3
InChIKeyHNQHWWMUYLNSME-UHFFFAOYSA-N
XLogP2.21
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

1-chloro-3-(2-methylpropoxy)-2-nitrobenzene
CID 104835274
3-(methoxymethoxy)-2-nitroaniline
CID 91619111
3-(2-ethoxyethoxy)-2-nitroaniline
CID 80858319
3-(2-methylpropoxy)-2-nitro-N-propylaniline
CID 80859764
3-methyl-1-(3-methyl-2-nitrophenoxy)butan-2-ol
CID 114249801
2-nitro-3-(oxan-4-ylmethoxy)aniline
CID 80879794
2-methyl-3-(3-methyl-2-nitrophenoxy)propanoic acid
CID 43538095
3-(2-methyl-3-nitrophenoxy)-2-nitroaniline
CID 80875915
1-(2,2-dimethoxyethoxy)-3-methyl-2-nitrobenzene
CID 66222116
3-(2-fluorophenoxy)-2-nitroaniline
CID 80864284
1-(3-amino-2-nitrophenyl)-2-bromopropan-1-one
CID 170836479
3-N-(4-methylpentan-2-yl)-2-nitrobenzene-1,3-diamine
CID 80782613

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-2-nitroaniline?
The IUPAC name of 3-(2-methylpropoxy)-2-nitroaniline (CID 80860372) is 3-(2-methylpropoxy)-2-nitroaniline.
What is the SMILES notation for 3-(2-methylpropoxy)-2-nitroaniline?
The canonical SMILES for 3-(2-methylpropoxy)-2-nitroaniline is CC(C)COc1cccc(N)c1[N+](=O)[O-].
What is the InChIKey of 3-(2-methylpropoxy)-2-nitroaniline?
The InChIKey is HNQHWWMUYLNSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)6-15-9-5-3-4-8(11)10(9)12(13)14/h3-5,7H,6,11H2,1-2H3.
What are the key properties of 3-(2-methylpropoxy)-2-nitroaniline?
3-(2-methylpropoxy)-2-nitroaniline has a molecular weight of 210.23 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-2-nitroaniline is sourced from PubChem (CID 80860372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).