1-(4-chlorophenyl)-N-oxidomethanamine

C7H7ClNO- — CID 162516250

IUPAC1-(4-chlorophenyl)-N-oxidomethanamine
SMILES[O-]NCc1ccc(Cl)cc1
InChIInChI=1S/C7H7ClNO/c8-7-3-1-6(2-4-7)5-9-10/h1-4,9H,5H2/q-1
InChIKeyPZBDJUSMDMDPCI-UHFFFAOYSA-N
MW156.59 g/mol
LogP1.93
Rot. Bonds2

About 1-(4-chlorophenyl)-N-oxidomethanamine

1-(4-chlorophenyl)-N-oxidomethanamine (PubChem CID 162516250) has the molecular formula C7H7ClNO- and a molecular weight of 156.59 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-oxidomethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-oxidomethanamine
PubChem CID162516250
Molecular FormulaC7H7ClNO-
Molecular Weight156.59 g/mol
Exact Mass156.02
IUPAC Name1-(4-chlorophenyl)-N-oxidomethanamine
SMILES[O-]NCc1ccc(Cl)cc1
InChIInChI=1S/C7H7ClNO/c8-7-3-1-6(2-4-7)5-9-10/h1-4,9H,5H2/q-1
InChIKeyPZBDJUSMDMDPCI-UHFFFAOYSA-N
XLogP1.93
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.59
LogP ≤ 51.93
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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Related Compounds

4-Chlorobenzylamine
CID 66036
Benzenemethanamine, 3,5-dichloro-
CID 457602
Benzenemethanamine, 3,4-dichloro-
CID 1608
Benzenemethanamine, 3-chloro-
CID 77802
Benzenemethanamine, 4-chloro-N-methyl-
CID 66905
Benzenemethanamine, 2,6-dichloro-
CID 485432
3-Chloro-4-fluorobenzylamine
CID 144539
2-(4-Chlorophenyl)ethylamine
CID 67430
2,4-Dichlorobenzylamine
CID 1485
2-Chlorobenzylamine
CID 66648
(2-Chloro-3-fluorophenyl)methanamine
CID 50998690
(S)-(-)-1-(4-chlorophenyl)ethylamine
CID 1550852

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-oxidomethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-oxidomethanamine (CID 162516250) is 1-(4-chlorophenyl)-N-oxidomethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-oxidomethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-oxidomethanamine is [O-]NCc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-oxidomethanamine?
The InChIKey is PZBDJUSMDMDPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClNO/c8-7-3-1-6(2-4-7)5-9-10/h1-4,9H,5H2/q-1.
What are the key properties of 1-(4-chlorophenyl)-N-oxidomethanamine?
1-(4-chlorophenyl)-N-oxidomethanamine has a molecular weight of 156.59 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-oxidomethanamine is sourced from PubChem (CID 162516250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).