[4-(2,3,5-trimethylphenoxy)phenyl]methanamine

C16H19NO — CID 20986827

IUPAC[4-(2,3,5-trimethylphenoxy)phenyl]methanamine
SMILESCc1cc(C)c(C)c(Oc2ccc(CN)cc2)c1
InChIInChI=1S/C16H19NO/c1-11-8-12(2)13(3)16(9-11)18-15-6-4-14(10-17)5-7-15/h4-9H,10,17H2,1-3H3
InChIKeyGLTVOVNRMLJYQW-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.86
Rot. Bonds3

About [4-(2,3,5-trimethylphenoxy)phenyl]methanamine

[4-(2,3,5-trimethylphenoxy)phenyl]methanamine (PubChem CID 20986827) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [4-(2,3,5-trimethylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,3,5-trimethylphenoxy)phenyl]methanamine
PubChem CID20986827
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[4-(2,3,5-trimethylphenoxy)phenyl]methanamine
SMILESCc1cc(C)c(C)c(Oc2ccc(CN)cc2)c1
InChIInChI=1S/C16H19NO/c1-11-8-12(2)13(3)16(9-11)18-15-6-4-14(10-17)5-7-15/h4-9H,10,17H2,1-3H3
InChIKeyGLTVOVNRMLJYQW-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

[3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 63457064
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
1-[4-(bromomethyl)-3-methylphenoxy]-2,3,5-trimethylbenzene
CID 107087431
2-[4-(aminomethyl)phenoxy]-4-methylbenzamide
CID 106485646
4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline
CID 139877807
[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
CID 20993580
[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 43314321
[3-(4-bromophenoxy)-4-methylphenyl]methanamine
CID 105406673
2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline
CID 83005527
[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 20988768
[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 105406659
[4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol
CID 62306971

Frequently Asked Questions

What is the IUPAC name of [4-(2,3,5-trimethylphenoxy)phenyl]methanamine?
The IUPAC name of [4-(2,3,5-trimethylphenoxy)phenyl]methanamine (CID 20986827) is [4-(2,3,5-trimethylphenoxy)phenyl]methanamine.
What is the SMILES notation for [4-(2,3,5-trimethylphenoxy)phenyl]methanamine?
The canonical SMILES for [4-(2,3,5-trimethylphenoxy)phenyl]methanamine is Cc1cc(C)c(C)c(Oc2ccc(CN)cc2)c1.
What is the InChIKey of [4-(2,3,5-trimethylphenoxy)phenyl]methanamine?
The InChIKey is GLTVOVNRMLJYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-8-12(2)13(3)16(9-11)18-15-6-4-14(10-17)5-7-15/h4-9H,10,17H2,1-3H3.
What are the key properties of [4-(2,3,5-trimethylphenoxy)phenyl]methanamine?
[4-(2,3,5-trimethylphenoxy)phenyl]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 [4-(2,3,5-trimethylphenoxy)phenyl]methanamine is sourced from PubChem (CID 20986827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).