N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine

C9H11ClN2O2 — CID 142452006

IUPACN-chloro-N-methyl-2-(4-nitrophenyl)ethanamine
SMILESCN(Cl)CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H11ClN2O2/c1-11(10)7-6-8-2-4-9(5-3-8)12(13)14/h2-5H,6-7H2,1H3
InChIKeyJERKVUHZLYFUBD-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.22
Rot. Bonds4

About N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine

N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine (PubChem CID 142452006) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-chloro-N-methyl-2-(4-nitrophenyl)ethanamine
PubChem CID142452006
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC NameN-chloro-N-methyl-2-(4-nitrophenyl)ethanamine
SMILESCN(Cl)CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H11ClN2O2/c1-11(10)7-6-8-2-4-9(5-3-8)12(13)14/h2-5H,6-7H2,1H3
InChIKeyJERKVUHZLYFUBD-UHFFFAOYSA-N
XLogP2.22
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', '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

4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline
CID 133454506
1-[methyl-[2-(4-nitrophenyl)ethyl]amino]propan-2-one
CID 90972444
ethane;1-nitro-4-propylbenzene
CID 123575523
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
3-ethyl-1-methyl-1-[2-(4-nitrophenyl)ethyl]urea
CID 3802097
N,N-dibenzyl-2-(4-nitrophenyl)ethanamine
CID 11057117
1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine
CID 67655342
3-(4-chlorophenyl)-1-methyl-1-[2-(4-nitrophenyl)ethyl]urea
CID 3769604
N-methyl-5-nitro-N-[2-(4-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 14835241
1-methoxy-3-[methyl-[2-(4-nitrophenyl)ethyl]amino]propan-2-ol
CID 62016357
N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79716950
hydron;2-(4-nitrophenyl)ethanol
CID 131851380

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine?
The IUPAC name of N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine (CID 142452006) is N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine.
What is the SMILES notation for N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine?
The canonical SMILES for N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine is CN(Cl)CCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine?
The InChIKey is JERKVUHZLYFUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-11(10)7-6-8-2-4-9(5-3-8)12(13)14/h2-5H,6-7H2,1H3.
What are the key properties of N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine?
N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine has a molecular weight of 214.65 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 142452006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).