ethane;methanol;N-methyl-3-nitroaniline

C10H18N2O3 — CID 144908950

IUPACethane;methanol;N-methyl-3-nitroaniline
SMILESCC.CNc1cccc([N+](=O)[O-])c1.CO
InChIInChI=1S/C7H8N2O2.C2H6.CH4O/c1-8-6-3-2-4-7(5-6)9(10)11;2*1-2/h2-5,8H,1H3;1-2H3;2H,1H3
InChIKeyRNBKAJMAZLOFLV-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.27
Rot. Bonds2

About ethane;methanol;N-methyl-3-nitroaniline

ethane;methanol;N-methyl-3-nitroaniline (PubChem CID 144908950) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethane;methanol;N-methyl-3-nitroaniline.

Molecular Properties

Compound Nameethane;methanol;N-methyl-3-nitroaniline
PubChem CID144908950
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethane;methanol;N-methyl-3-nitroaniline
SMILESCC.CNc1cccc([N+](=O)[O-])c1.CO
InChIInChI=1S/C7H8N2O2.C2H6.CH4O/c1-8-6-3-2-4-7(5-6)9(10)11;2*1-2/h2-5,8H,1H3;1-2H3;2H,1H3
InChIKeyRNBKAJMAZLOFLV-UHFFFAOYSA-N
XLogP2.27
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.27
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

ethane;N-(3-nitrophenyl)acetamide
CID 90876834
CID 58015538
CID 58015538
ethane;N-(3-nitrophenyl)prop-2-enamide
CID 142347687
1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80770276
1-(3-nitroanilino)propan-2-one
CID 141021170
hydrazine;bis((3-nitrophenyl)hydrazine);hydrate
CID 158997537
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
1-(3-nitroanilino)propan-2-ol
CID 43500225
1-nitro-3-(sulfinatoamino)benzene
CID 57069908
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;N-methyl-3-nitroaniline?
The IUPAC name of ethane;methanol;N-methyl-3-nitroaniline (CID 144908950) is ethane;methanol;N-methyl-3-nitroaniline.
What is the SMILES notation for ethane;methanol;N-methyl-3-nitroaniline?
The canonical SMILES for ethane;methanol;N-methyl-3-nitroaniline is CC.CNc1cccc([N+](=O)[O-])c1.CO.
What is the InChIKey of ethane;methanol;N-methyl-3-nitroaniline?
The InChIKey is RNBKAJMAZLOFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.C2H6.CH4O/c1-8-6-3-2-4-7(5-6)9(10)11;2*1-2/h2-5,8H,1H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;N-methyl-3-nitroaniline?
ethane;methanol;N-methyl-3-nitroaniline has a molecular weight of 214.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;N-methyl-3-nitroaniline is sourced from PubChem (CID 144908950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).