[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine

C15H16FNO — CID 43314141

IUPAC[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
SMILESCc1ccc(Oc2ccc(F)cc2CN)c(C)c1
InChIInChI=1S/C15H16FNO/c1-10-3-5-14(11(2)7-10)18-15-6-4-13(16)8-12(15)9-17/h3-8H,9,17H2,1-2H3
InChIKeyQNAPJNZISOPLFD-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.69
Rot. Bonds3

About [2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine

[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine (PubChem CID 43314141) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is [2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
PubChem CID43314141
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
SMILESCc1ccc(Oc2ccc(F)cc2CN)c(C)c1
InChIInChI=1S/C15H16FNO/c1-10-3-5-14(11(2)7-10)18-15-6-4-13(16)8-12(15)9-17/h3-8H,9,17H2,1-2H3
InChIKeyQNAPJNZISOPLFD-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 43314321
[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
CID 114016683
[2-(2,4-dimethylphenoxy)phenyl]methanamine
CID 19627395
[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 64765020
N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314137
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
CID 107926515
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 107694762
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine (CID 43314141) is [2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine is Cc1ccc(Oc2ccc(F)cc2CN)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine?
The InChIKey is QNAPJNZISOPLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-3-5-14(11(2)7-10)18-15-6-4-13(16)8-12(15)9-17/h3-8H,9,17H2,1-2H3.
What are the key properties of [2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine?
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine has a molecular weight of 245.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine is sourced from PubChem (CID 43314141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).