[2-[4-(phenoxymethyl)phenyl]phenyl]methanamine

C20H19NO — CID 43825120

IUPAC[2-[4-(phenoxymethyl)phenyl]phenyl]methanamine
SMILESNCc1ccccc1-c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H19NO/c21-14-18-6-4-5-9-20(18)17-12-10-16(11-13-17)15-22-19-7-2-1-3-8-19/h1-13H,14-15,21H2
InChIKeyHRZIKYRMTIHXSO-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.39
Rot. Bonds5

About [2-[4-(phenoxymethyl)phenyl]phenyl]methanamine

[2-[4-(phenoxymethyl)phenyl]phenyl]methanamine (PubChem CID 43825120) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-[4-(phenoxymethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[4-(phenoxymethyl)phenyl]phenyl]methanamine
PubChem CID43825120
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name[2-[4-(phenoxymethyl)phenyl]phenyl]methanamine
SMILESNCc1ccccc1-c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H19NO/c21-14-18-6-4-5-9-20(18)17-12-10-16(11-13-17)15-22-19-7-2-1-3-8-19/h1-13H,14-15,21H2
InChIKeyHRZIKYRMTIHXSO-UHFFFAOYSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(phenoxymethyl)phenyl]phenyl]methanamine?
The IUPAC name of [2-[4-(phenoxymethyl)phenyl]phenyl]methanamine (CID 43825120) is [2-[4-(phenoxymethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-[4-(phenoxymethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [2-[4-(phenoxymethyl)phenyl]phenyl]methanamine is NCc1ccccc1-c1ccc(COc2ccccc2)cc1.
What is the InChIKey of [2-[4-(phenoxymethyl)phenyl]phenyl]methanamine?
The InChIKey is HRZIKYRMTIHXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c21-14-18-6-4-5-9-20(18)17-12-10-16(11-13-17)15-22-19-7-2-1-3-8-19/h1-13H,14-15,21H2.
What are the key properties of [2-[4-(phenoxymethyl)phenyl]phenyl]methanamine?
[2-[4-(phenoxymethyl)phenyl]phenyl]methanamine has a molecular weight of 289.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(phenoxymethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 43825120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).