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

C10H15N3O2 — CID 62682395

IUPACN'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2/c1-12(7-6-11)8-9-4-2-3-5-10(9)13(14)15/h2-5H,6-8,11H2,1H3
InChIKeyNYXREVMMOWQRKA-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.99
Rot. Bonds5

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

N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine (PubChem CID 62682395) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine
PubChem CID62682395
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2/c1-12(7-6-11)8-9-4-2-3-5-10(9)13(14)15/h2-5H,6-8,11H2,1H3
InChIKeyNYXREVMMOWQRKA-UHFFFAOYSA-N
XLogP0.99
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.99
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

N'-[(5-chloro-2-nitrophenyl)methyl]-N'-methylethane-1,2-diamine
CID 79580674
ethyl 3-[methyl-[(2-nitrophenyl)methyl]amino]propanoate
CID 61372410
3-(2-nitrophenyl)propan-1-amine
CID 15715793
4-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]butanamide
CID 80542921
N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide
CID 82354411
2-methoxy-N-(2-methoxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 78807389
N'-[(5-fluoro-2-nitrophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 81493923
4-(2-nitrophenyl)butan-1-amine;hydrochloride
CID 11322189
2,2-dimethyl-N'-[(2-nitrophenyl)methyl]-N'-propylpropane-1,3-diamine
CID 79667471
2-aminoethyl-dimethyl-[(2-nitrophenyl)methyl]azanium
CID 160766463
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine
CID 62682589

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine (CID 62682395) is N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine is CN(CCN)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine?
The InChIKey is NYXREVMMOWQRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12(7-6-11)8-9-4-2-3-5-10(9)13(14)15/h2-5H,6-8,11H2,1H3.
What are the key properties of N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine?
N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine has a molecular weight of 209.25 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62682395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).