N-[(4-chlorophenyl)methoxy]methanamine

C8H10ClNO — CID 105435011

IUPACN-[(4-chlorophenyl)methoxy]methanamine
SMILESCNOCc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO/c1-10-11-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKeyQTMXHTQZVCIEMQ-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.99
Rot. Bonds3

About N-[(4-chlorophenyl)methoxy]methanamine

N-[(4-chlorophenyl)methoxy]methanamine (PubChem CID 105435011) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methoxy]methanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methoxy]methanamine
PubChem CID105435011
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC NameN-[(4-chlorophenyl)methoxy]methanamine
SMILESCNOCc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO/c1-10-11-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKeyQTMXHTQZVCIEMQ-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 N-[(4-chlorophenyl)methoxy]methanamine?
The IUPAC name of N-[(4-chlorophenyl)methoxy]methanamine (CID 105435011) is N-[(4-chlorophenyl)methoxy]methanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methoxy]methanamine?
The canonical SMILES for N-[(4-chlorophenyl)methoxy]methanamine is CNOCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methoxy]methanamine?
The InChIKey is QTMXHTQZVCIEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-10-11-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methoxy]methanamine?
N-[(4-chlorophenyl)methoxy]methanamine 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 N-[(4-chlorophenyl)methoxy]methanamine is sourced from PubChem (CID 105435011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).