N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine

C11H17N3O2 — CID 62682589

IUPACN'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine
SMILESCC(c1ccccc1[N+](=O)[O-])N(C)CCN
InChIInChI=1S/C11H17N3O2/c1-9(13(2)8-7-12)10-5-3-4-6-11(10)14(15)16/h3-6,9H,7-8,12H2,1-2H3
InChIKeyCWLNYPTUFFVQAW-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.55
Rot. Bonds5

About N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine

N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine (PubChem CID 62682589) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine
PubChem CID62682589
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine
SMILESCC(c1ccccc1[N+](=O)[O-])N(C)CCN
InChIInChI=1S/C11H17N3O2/c1-9(13(2)8-7-12)10-5-3-4-6-11(10)14(15)16/h3-6,9H,7-8,12H2,1-2H3
InChIKeyCWLNYPTUFFVQAW-UHFFFAOYSA-N
XLogP1.55
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.55
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

2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol
CID 71348331
N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine
CID 62682395
(1S)-1-(2-nitrophenyl)propane-1,3-diamine;hydrochloride
CID 171217794
2-methyl-2-[methyl-[1-(2-nitrophenyl)ethyl]amino]propanoic acid
CID 65060790
(1R)-1-(2-nitrophenyl)butane-1,4-diamine
CID 171198283
(1S,2S)-1-amino-1-(2-nitrophenyl)propan-2-ol
CID 55270082
2-(3,4-dihydroxyphenyl)ethyl-[1-(2-nitrophenyl)ethyl]carbamic acid
CID 118173469
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
CID 103916425
N'-methyl-N'-[1-(3-nitrophenyl)ethyl]propane-1,3-diamine
CID 81493189
(1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine
CID 131529509
1-methyl-2-nitrobenzene;2-methylpropan-1-amine
CID 22279203

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine (CID 62682589) is N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine is CC(c1ccccc1[N+](=O)[O-])N(C)CCN.
What is the InChIKey of N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine?
The InChIKey is CWLNYPTUFFVQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9(13(2)8-7-12)10-5-3-4-6-11(10)14(15)16/h3-6,9H,7-8,12H2,1-2H3.
What are the key properties of N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine?
N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine has a molecular weight of 223.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62682589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).