2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine

C16H19NO2 — CID 55017730

IUPAC2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
SMILESCOc1cc(C)ccc1OC(CN)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-12-8-9-14(15(10-12)18-2)19-16(11-17)13-6-4-3-5-7-13/h3-10,16H,11,17H2,1-2H3
InChIKeyZXNCAFDBTVXZLK-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.08
Rot. Bonds5

About 2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine

2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine (PubChem CID 55017730) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
PubChem CID55017730
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
SMILESCOc1cc(C)ccc1OC(CN)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-12-8-9-14(15(10-12)18-2)19-16(11-17)13-6-4-3-5-7-13/h3-10,16H,11,17H2,1-2H3
InChIKeyZXNCAFDBTVXZLK-UHFFFAOYSA-N
XLogP3.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-2-phenylethanamine
CID 55017590
2-(2-fluoro-5-methylphenoxy)-2-phenylethanamine
CID 64854414
N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 62451213
2-(4-ethyl-2-methoxyphenoxy)-2-(4-methylphenyl)ethanamine
CID 107664014
3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid
CID 64694661
2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020668
3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine
CID 43752910
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396
2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine
CID 55019513
[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol
CID 107742711
2-(4-ethyl-2-methoxyphenoxy)-2-(3-fluorophenyl)ethanamine
CID 107663995
ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate
CID 10833081

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine (CID 55017730) is 2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine is COc1cc(C)ccc1OC(CN)c1ccccc1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine?
The InChIKey is ZXNCAFDBTVXZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-8-9-14(15(10-12)18-2)19-16(11-17)13-6-4-3-5-7-13/h3-10,16H,11,17H2,1-2H3.
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine?
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine has a molecular weight of 257.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine is sourced from PubChem (CID 55017730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).