N-(2-methoxypropyl)-5-methyl-2-nitroaniline

C11H16N2O3 — CID 102698941

IUPACN-(2-methoxypropyl)-5-methyl-2-nitroaniline
SMILESCOC(C)CNc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-8-4-5-11(13(14)15)10(6-8)12-7-9(2)16-3/h4-6,9,12H,7H2,1-3H3
InChIKeyLYXRMSMDMYYSSF-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.35
Rot. Bonds5

About N-(2-methoxypropyl)-5-methyl-2-nitroaniline

N-(2-methoxypropyl)-5-methyl-2-nitroaniline (PubChem CID 102698941) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2-methoxypropyl)-5-methyl-2-nitroaniline.

Molecular Properties

Compound NameN-(2-methoxypropyl)-5-methyl-2-nitroaniline
PubChem CID102698941
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(2-methoxypropyl)-5-methyl-2-nitroaniline
SMILESCOC(C)CNc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-8-4-5-11(13(14)15)10(6-8)12-7-9(2)16-3/h4-6,9,12H,7H2,1-3H3
InChIKeyLYXRMSMDMYYSSF-UHFFFAOYSA-N
XLogP2.35
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.35
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

5-methyl-N-(2-methylpropyl)-2-nitroaniline
CID 75356397
5-bromo-N-(2-methoxypropyl)-2-nitroaniline
CID 102699028
5-methyl-2-nitro-N-(2-prop-2-enoxypropyl)aniline
CID 114263328
methyl 2-(5-methyl-2-nitroanilino)acetate
CID 58926520
5-chloro-N-(2-methoxypropyl)-2-methyl-4-nitroaniline
CID 102698897
4-(2-methoxypropylamino)-3-nitrobenzaldehyde
CID 102699055
5-bromo-4-ethyl-N-(2-methoxypropyl)-2-nitroaniline
CID 177354701
N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 102698850
2-fluoro-4-(2-methoxypropylamino)-5-nitrobenzoic acid
CID 102698556
1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine
CID 102694434
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxypropyl)-2-nitroaniline
CID 139807741
N-chloro-5-methyl-2-nitroaniline
CID 13272651

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-5-methyl-2-nitroaniline?
The IUPAC name of N-(2-methoxypropyl)-5-methyl-2-nitroaniline (CID 102698941) is N-(2-methoxypropyl)-5-methyl-2-nitroaniline.
What is the SMILES notation for N-(2-methoxypropyl)-5-methyl-2-nitroaniline?
The canonical SMILES for N-(2-methoxypropyl)-5-methyl-2-nitroaniline is COC(C)CNc1cc(C)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxypropyl)-5-methyl-2-nitroaniline?
The InChIKey is LYXRMSMDMYYSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-4-5-11(13(14)15)10(6-8)12-7-9(2)16-3/h4-6,9,12H,7H2,1-3H3.
What are the key properties of N-(2-methoxypropyl)-5-methyl-2-nitroaniline?
N-(2-methoxypropyl)-5-methyl-2-nitroaniline has a molecular weight of 224.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-5-methyl-2-nitroaniline is sourced from PubChem (CID 102698941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).