1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine

C11H17N3O3 — CID 114268068

IUPAC1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine
SMILESCNC(C)CNc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-8(12-2)7-13-10-5-4-9(17-3)6-11(10)14(15)16/h4-6,8,12-13H,7H2,1-3H3
InChIKeyVKGKUFZYFGBHIR-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.62
Rot. Bonds6

About 1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine

1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine (PubChem CID 114268068) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine
PubChem CID114268068
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine
SMILESCNC(C)CNc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-8(12-2)7-13-10-5-4-9(17-3)6-11(10)14(15)16/h4-6,8,12-13H,7H2,1-3H3
InChIKeyVKGKUFZYFGBHIR-UHFFFAOYSA-N
XLogP1.62
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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-(2,2-difluoroethyl)-4-methoxy-2-nitroaniline
CID 79099283
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CID 66107109
1-N-(4-methoxy-2-nitrophenyl)butane-1,3-diamine
CID 63251342
4-methoxy-N-(3-methylbutan-2-yl)-2-nitroaniline
CID 43084346
1-N-(4-methoxy-2-nitrophenyl)-2-methylpropane-1,2-diamine
CID 78954867
4-methoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 28549886
2-[(4-methoxy-2-nitroanilino)methyl]pentanoic acid
CID 65224121
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
4-methoxy-N-(4-methoxybutyl)-2-nitroaniline
CID 60965413
4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
CID 2843218
N-(2-bromoprop-2-enyl)-4-methoxy-2-nitroaniline
CID 115594976
4-methoxy-N-(4-methylsulfanylbutan-2-yl)-2-nitroaniline
CID 115637717

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine (CID 114268068) is 1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine is CNC(C)CNc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of 1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is VKGKUFZYFGBHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(12-2)7-13-10-5-4-9(17-3)6-11(10)14(15)16/h4-6,8,12-13H,7H2,1-3H3.
What are the key properties of 1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine?
1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 239.28 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 114268068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).