2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine

C19H25NO — CID 43109790

IUPAC2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCc1cccc(OCC(N)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25NO/c1-5-16-7-6-8-17(11-16)21-12-18(20)19-14(3)9-13(2)10-15(19)4/h6-11,18H,5,12,20H2,1-4H3
InChIKeyBKALJHAHUZRYNB-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.25
Rot. Bonds5

About 2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine

2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 43109790) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID43109790
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCc1cccc(OCC(N)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25NO/c1-5-16-7-6-8-17(11-16)21-12-18(20)19-14(3)9-13(2)10-15(19)4/h6-11,18H,5,12,20H2,1-4H3
InChIKeyBKALJHAHUZRYNB-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43105318
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
2-(3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43197699
1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine
CID 43211628
(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine
CID 70653682
(2R)-3-(3-ethylphenoxy)-2-methylpropan-1-amine
CID 93264285
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine
CID 63986563
1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine
CID 16794540
2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 62388506
N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113100044
1-(2-aminophenyl)-2-(3-ethylphenoxy)ethanol
CID 62267926

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine (CID 43109790) is 2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine is CCc1cccc(OCC(N)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is BKALJHAHUZRYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-16-7-6-8-17(11-16)21-12-18(20)19-14(3)9-13(2)10-15(19)4/h6-11,18H,5,12,20H2,1-4H3.
What are the key properties of 2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 283.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 43109790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).