1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine

C9H11Cl2NO2 — CID 117344115

IUPAC1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C9H11Cl2NO2/c1-13-9-6(5-12-14-2)3-7(10)4-8(9)11/h3-4,12H,5H2,1-2H3
InChIKeyBNYQESLFNBZVBS-UHFFFAOYSA-N
MW236.10 g/mol
LogP2.65
Rot. Bonds4

About 1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine

1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine (PubChem CID 117344115) has the molecular formula C9H11Cl2NO2 and a molecular weight of 236.10 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
PubChem CID117344115
Molecular FormulaC9H11Cl2NO2
Molecular Weight236.10 g/mol
Exact Mass235.02
IUPAC Name1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C9H11Cl2NO2/c1-13-9-6(5-12-14-2)3-7(10)4-8(9)11/h3-4,12H,5H2,1-2H3
InChIKeyBNYQESLFNBZVBS-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-tert-butyl-3-chloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117398158
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate
CID 110782986
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193602
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294438
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 4722977
2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
CID 11957133
1,5-dichloro-3-(2-chloroethyl)-2-methoxybenzene
CID 82477195
[1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol
CID 75494808
1-(2-bromoethyl)-3,5-dichloro-2-methoxybenzene
CID 82489523

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine (CID 117344115) is 1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine is CONCc1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of 1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine?
The InChIKey is BNYQESLFNBZVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO2/c1-13-9-6(5-12-14-2)3-7(10)4-8(9)11/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine?
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine has a molecular weight of 236.10 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117344115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).