1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine

C8H9ClN2O3 — CID 64973951

IUPAC1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine
SMILESCONCc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C8H9ClN2O3/c1-14-10-5-6-2-3-7(11(12)13)4-8(6)9/h2-4,10H,5H2,1H3
InChIKeyBEDMFNDESSUFHV-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.90
Rot. Bonds4

About 1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine

1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine (PubChem CID 64973951) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine
PubChem CID64973951
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine
SMILESCONCc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C8H9ClN2O3/c1-14-10-5-6-2-3-7(11(12)13)4-8(6)9/h2-4,10H,5H2,1H3
InChIKeyBEDMFNDESSUFHV-UHFFFAOYSA-N
XLogP1.90
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.90
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

1-(2-chloro-4-nitrophenyl)-N-ethoxymethanamine
CID 64974333
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
N-[(2-chloro-4-nitrophenyl)methyl]-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103080782
N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline
CID 62332093
methyl 3-(2-chloro-4-nitrophenyl)propanoate
CID 70066085
N-[(2-chloro-4-nitrophenyl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62636775
N-[(2-chloro-4-nitrophenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 63491389
1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine
CID 78993353
2,6-dibromo-N-[(2-chloro-4-nitrophenyl)methyl]-4-methylaniline
CID 63488167
N-[(2-chloro-4-nitrophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64733850
(2S)-2-[(2-chloro-4-nitrophenyl)methylamino]propanoic acid
CID 83194102
N-[(2-chloro-4-nitrophenyl)methyl]-4-methylpiperazin-1-amine
CID 83021576

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine (CID 64973951) is 1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine is CONCc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine?
The InChIKey is BEDMFNDESSUFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-14-10-5-6-2-3-7(11(12)13)4-8(6)9/h2-4,10H,5H2,1H3.
What are the key properties of 1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine?
1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine has a molecular weight of 216.62 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine is sourced from PubChem (CID 64973951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).