1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine

C12H14ClNO3 — CID 117392278

IUPAC1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine
SMILESCONCc1cc(OC)c2oc(C)cc2c1Cl
InChIInChI=1S/C12H14ClNO3/c1-7-4-9-11(13)8(6-14-16-3)5-10(15-2)12(9)17-7/h4-5,14H,6H2,1-3H3
InChIKeyNAAKIJMUYSQTNZ-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine

1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine (PubChem CID 117392278) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine
PubChem CID117392278
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine
SMILESCONCc1cc(OC)c2oc(C)cc2c1Cl
InChIInChI=1S/C12H14ClNO3/c1-7-4-9-11(13)8(6-14-16-3)5-10(15-2)12(9)17-7/h4-5,14H,6H2,1-3H3
InChIKeyNAAKIJMUYSQTNZ-UHFFFAOYSA-N
XLogP3.05
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine
CID 117356135
1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine
CID 82653691
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol
CID 117354046
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol
CID 117427462
1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313548
1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117335514
[1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117492783
(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine
CID 117428277
methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate
CID 117458145
2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)acetic acid
CID 117481516
4-amino-4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)butanoic acid
CID 117479325
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine?
The IUPAC name of 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine (CID 117392278) is 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine is CONCc1cc(OC)c2oc(C)cc2c1Cl.
What is the InChIKey of 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine?
The InChIKey is NAAKIJMUYSQTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-7-4-9-11(13)8(6-14-16-3)5-10(15-2)12(9)17-7/h4-5,14H,6H2,1-3H3.
What are the key properties of 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine?
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine has a molecular weight of 255.70 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine is sourced from PubChem (CID 117392278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).