1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine

C11H16ClNO2 — CID 117331664

IUPAC1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
SMILESCONCc1c(C)c(C)cc(Cl)c1OC
InChIInChI=1S/C11H16ClNO2/c1-7-5-10(12)11(14-3)9(8(7)2)6-13-15-4/h5,13H,6H2,1-4H3
InChIKeyMSXZCEPDFDSKED-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.62
Rot. Bonds4

About 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine

1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine (PubChem CID 117331664) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
PubChem CID117331664
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
SMILESCONCc1c(C)c(C)cc(Cl)c1OC
InChIInChI=1S/C11H16ClNO2/c1-7-5-10(12)11(14-3)9(8(7)2)6-13-15-4/h5,13H,6H2,1-4H3
InChIKeyMSXZCEPDFDSKED-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.62
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-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976
1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
CID 117288952
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117495457
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84787177
5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde
CID 117403358
1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117409447
4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol
CID 117366782
2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol
CID 117301699
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
1-(5-tert-butyl-3-chloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117398158
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine (CID 117331664) is 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine is CONCc1c(C)c(C)cc(Cl)c1OC.
What is the InChIKey of 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine?
The InChIKey is MSXZCEPDFDSKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-7-5-10(12)11(14-3)9(8(7)2)6-13-15-4/h5,13H,6H2,1-4H3.
What are the key properties of 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine?
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine has a molecular weight of 229.71 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117331664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).