[2-(4-fluorophenoxy)-4-methylphenyl]methanamine

C14H14FNO — CID 62306766

IUPAC[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)c(Oc2ccc(F)cc2)c1
InChIInChI=1S/C14H14FNO/c1-10-2-3-11(9-16)14(8-10)17-13-6-4-12(15)5-7-13/h2-8H,9,16H2,1H3
InChIKeyPBVUQONSKKMEHB-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.39
Rot. Bonds3

About [2-(4-fluorophenoxy)-4-methylphenyl]methanamine

[2-(4-fluorophenoxy)-4-methylphenyl]methanamine (PubChem CID 62306766) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is [2-(4-fluorophenoxy)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
PubChem CID62306766
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)c(Oc2ccc(F)cc2)c1
InChIInChI=1S/C14H14FNO/c1-10-2-3-11(9-16)14(8-10)17-13-6-4-12(15)5-7-13/h2-8H,9,16H2,1H3
InChIKeyPBVUQONSKKMEHB-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenoxy)-4-methylphenyl]methanamine?
The IUPAC name of [2-(4-fluorophenoxy)-4-methylphenyl]methanamine (CID 62306766) is [2-(4-fluorophenoxy)-4-methylphenyl]methanamine.
What is the SMILES notation for [2-(4-fluorophenoxy)-4-methylphenyl]methanamine?
The canonical SMILES for [2-(4-fluorophenoxy)-4-methylphenyl]methanamine is Cc1ccc(CN)c(Oc2ccc(F)cc2)c1.
What is the InChIKey of [2-(4-fluorophenoxy)-4-methylphenyl]methanamine?
The InChIKey is PBVUQONSKKMEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-10-2-3-11(9-16)14(8-10)17-13-6-4-12(15)5-7-13/h2-8H,9,16H2,1H3.
What are the key properties of [2-(4-fluorophenoxy)-4-methylphenyl]methanamine?
[2-(4-fluorophenoxy)-4-methylphenyl]methanamine has a molecular weight of 231.27 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenoxy)-4-methylphenyl]methanamine is sourced from PubChem (CID 62306766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).