1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine

C13H19N3O3 — CID 116653231

IUPAC1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine
SMILESCOc1cccc(N(C)C(CN)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-15(11(8-14)9-6-7-9)10-4-3-5-12(19-2)13(10)16(17)18/h3-5,9,11H,6-8,14H2,1-2H3
InChIKeyLMXMDXZZJJVNPS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.78
Rot. Bonds6

About 1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine

1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine (PubChem CID 116653231) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine
PubChem CID116653231
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine
SMILESCOc1cccc(N(C)C(CN)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-15(11(8-14)9-6-7-9)10-4-3-5-12(19-2)13(10)16(17)18/h3-5,9,11H,6-8,14H2,1-2H3
InChIKeyLMXMDXZZJJVNPS-UHFFFAOYSA-N
XLogP1.78
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-cyclopropyl-N-(3,5-difluoro-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 116653377
1-cyclopropyl-N-(6-methoxy-5-nitropyrimidin-4-yl)-N-methylethane-1,2-diamine
CID 116653219
N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 116651849
1-cyclopropyl-N-methyl-N-[1-(4-nitrophenyl)ethyl]ethane-1,2-diamine
CID 116651231
2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide
CID 116653255
1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine
CID 116653304
1-cyclopropyl-N-(5-fluoro-4-iodo-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 116653213
1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine
CID 116653456
1-cyclopropyl-N-methyl-N-(3-methyl-5-nitrophenyl)ethane-1,2-diamine
CID 116653317
N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641581
N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 116651623
3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline
CID 104838791

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine (CID 116653231) is 1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine is COc1cccc(N(C)C(CN)C2CC2)c1[N+](=O)[O-].
What is the InChIKey of 1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine?
The InChIKey is LMXMDXZZJJVNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15(11(8-14)9-6-7-9)10-4-3-5-12(19-2)13(10)16(17)18/h3-5,9,11H,6-8,14H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine?
1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine has a molecular weight of 265.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-methoxy-2-nitrophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 116653231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).