1-(2-chlorophenyl)-N-methoxymethanamine

C8H10ClNO — CID 13192618

IUPAC1-(2-chlorophenyl)-N-methoxymethanamine
SMILESCONCc1ccccc1Cl
InChIInChI=1S/C8H10ClNO/c1-11-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
InChIKeyXKFBCMZLSCCWMV-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.99
Rot. Bonds3

About 1-(2-chlorophenyl)-N-methoxymethanamine

1-(2-chlorophenyl)-N-methoxymethanamine (PubChem CID 13192618) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methoxymethanamine
PubChem CID13192618
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name1-(2-chlorophenyl)-N-methoxymethanamine
SMILESCONCc1ccccc1Cl
InChIInChI=1S/C8H10ClNO/c1-11-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
InChIKeyXKFBCMZLSCCWMV-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methoxymethanamine (CID 13192618) is 1-(2-chlorophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methoxymethanamine is CONCc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methoxymethanamine?
The InChIKey is XKFBCMZLSCCWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-11-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-methoxymethanamine?
1-(2-chlorophenyl)-N-methoxymethanamine has a molecular weight of 171.63 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methoxymethanamine is sourced from PubChem (CID 13192618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).