[3-(4-chlorophenoxy)phenyl]methanamine

C13H12ClNO — CID 3859755

IUPAC[3-(4-chlorophenoxy)phenyl]methanamine
SMILESNCc1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12ClNO/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-8H,9,15H2
InChIKeyOARRDZAFQFAGKN-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.59
Rot. Bonds3

About [3-(4-chlorophenoxy)phenyl]methanamine

[3-(4-chlorophenoxy)phenyl]methanamine (PubChem CID 3859755) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is [3-(4-chlorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(4-chlorophenoxy)phenyl]methanamine
PubChem CID3859755
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name[3-(4-chlorophenoxy)phenyl]methanamine
SMILESNCc1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12ClNO/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-8H,9,15H2
InChIKeyOARRDZAFQFAGKN-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenoxy)phenyl]methanamine?
The IUPAC name of [3-(4-chlorophenoxy)phenyl]methanamine (CID 3859755) is [3-(4-chlorophenoxy)phenyl]methanamine.
What is the SMILES notation for [3-(4-chlorophenoxy)phenyl]methanamine?
The canonical SMILES for [3-(4-chlorophenoxy)phenyl]methanamine is NCc1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of [3-(4-chlorophenoxy)phenyl]methanamine?
The InChIKey is OARRDZAFQFAGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-8H,9,15H2.
What are the key properties of [3-(4-chlorophenoxy)phenyl]methanamine?
[3-(4-chlorophenoxy)phenyl]methanamine has a molecular weight of 233.70 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenoxy)phenyl]methanamine is sourced from PubChem (CID 3859755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).