1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine

C7H10ClNO2 — CID 82653691

IUPAC1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine
SMILESCONCc1cc(C)oc1Cl
InChIInChI=1S/C7H10ClNO2/c1-5-3-6(4-9-10-2)7(8)11-5/h3,9H,4H2,1-2H3
InChIKeyHLOUSJMQXCXUET-UHFFFAOYSA-N
MW175.61 g/mol
LogP1.89
Rot. Bonds3

About 1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine

1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine (PubChem CID 82653691) has the molecular formula C7H10ClNO2 and a molecular weight of 175.61 g/mol. Its IUPAC name is 1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine
PubChem CID82653691
Molecular FormulaC7H10ClNO2
Molecular Weight175.61 g/mol
Exact Mass175.04
IUPAC Name1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine
SMILESCONCc1cc(C)oc1Cl
InChIInChI=1S/C7H10ClNO2/c1-5-3-6(4-9-10-2)7(8)11-5/h3,9H,4H2,1-2H3
InChIKeyHLOUSJMQXCXUET-UHFFFAOYSA-N
XLogP1.89
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 51.89
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-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine
CID 117392278
1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)-N-methoxymethanamine
CID 117437449
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine
CID 117424940
1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine
CID 117288951
1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117335514
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
1-(6-chloro-4-methyl-1,3-benzodioxol-5-yl)-N-methoxymethanamine
CID 117331375
1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine
CID 130835408
N-methoxy-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 117298672
1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313548
N-methoxy-1-(7-methyl-1,3-benzodioxol-4-yl)methanamine
CID 117285069

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine?
The IUPAC name of 1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine (CID 82653691) is 1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine is CONCc1cc(C)oc1Cl.
What is the InChIKey of 1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine?
The InChIKey is HLOUSJMQXCXUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2/c1-5-3-6(4-9-10-2)7(8)11-5/h3,9H,4H2,1-2H3.
What are the key properties of 1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine?
1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine has a molecular weight of 175.61 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine is sourced from PubChem (CID 82653691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).