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

C16H19NO — CID 62308844

IUPAC[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(C)c(Oc2cc(C)ccc2CN)c1
InChIInChI=1S/C16H19NO/c1-11-4-6-13(3)15(8-11)18-16-9-12(2)5-7-14(16)10-17/h4-9H,10,17H2,1-3H3
InChIKeyOVCLFSUMUQDPTD-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.86
Rot. Bonds3

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

[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine (PubChem CID 62308844) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
PubChem CID62308844
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(C)c(Oc2cc(C)ccc2CN)c1
InChIInChI=1S/C16H19NO/c1-11-4-6-13(3)15(8-11)18-16-9-12(2)5-7-14(16)10-17/h4-9H,10,17H2,1-3H3
InChIKeyOVCLFSUMUQDPTD-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
[2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine
CID 63456905
[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
CID 62306766
[2-(2-methoxyphenoxy)-4-methylphenyl]methanamine
CID 62306948
[2-(2,5-dimethylphenoxy)-3-methylphenyl]methanamine
CID 107105904
2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine
CID 63802592
[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 63456891
[2-(5-fluoro-2-methylphenoxy)-4-methoxyphenyl]methanamine
CID 102980112
[2-(2,4-dimethylphenoxy)phenyl]methanamine
CID 19627395
[4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol
CID 62306971
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine?
The IUPAC name of [2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine (CID 62308844) is [2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine.
What is the SMILES notation for [2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine?
The canonical SMILES for [2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine is Cc1ccc(C)c(Oc2cc(C)ccc2CN)c1.
What is the InChIKey of [2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine?
The InChIKey is OVCLFSUMUQDPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-4-6-13(3)15(8-11)18-16-9-12(2)5-7-14(16)10-17/h4-9H,10,17H2,1-3H3.
What are the key properties of [2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine?
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine is sourced from PubChem (CID 62308844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).