1-(4-chlorophenyl)-N-ethenoxymethanamine

C9H10ClNO — CID 23559792

IUPAC1-(4-chlorophenyl)-N-ethenoxymethanamine
SMILESC=CONCc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c1-2-12-11-7-8-3-5-9(10)6-4-8/h2-6,11H,1,7H2
InChIKeyIILKDDRKEAYLKQ-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.50
Rot. Bonds4

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

1-(4-chlorophenyl)-N-ethenoxymethanamine (PubChem CID 23559792) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethenoxymethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethenoxymethanamine
PubChem CID23559792
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-(4-chlorophenyl)-N-ethenoxymethanamine
SMILESC=CONCc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c1-2-12-11-7-8-3-5-9(10)6-4-8/h2-6,11H,1,7H2
InChIKeyIILKDDRKEAYLKQ-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethenoxymethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethenoxymethanamine (CID 23559792) is 1-(4-chlorophenyl)-N-ethenoxymethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethenoxymethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethenoxymethanamine is C=CONCc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethenoxymethanamine?
The InChIKey is IILKDDRKEAYLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-2-12-11-7-8-3-5-9(10)6-4-8/h2-6,11H,1,7H2.
What are the key properties of 1-(4-chlorophenyl)-N-ethenoxymethanamine?
1-(4-chlorophenyl)-N-ethenoxymethanamine has a molecular weight of 183.64 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethenoxymethanamine is sourced from PubChem (CID 23559792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).