2-(3-ethylphenoxy)-1-phenylethanamine

C16H19NO — CID 43211626

IUPAC2-(3-ethylphenoxy)-1-phenylethanamine
SMILESCCc1cccc(OCC(N)c2ccccc2)c1
InChIInChI=1S/C16H19NO/c1-2-13-7-6-10-15(11-13)18-12-16(17)14-8-4-3-5-9-14/h3-11,16H,2,12,17H2,1H3
InChIKeyGNCYRKZQALPTES-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.33
Rot. Bonds5

About 2-(3-ethylphenoxy)-1-phenylethanamine

2-(3-ethylphenoxy)-1-phenylethanamine (PubChem CID 43211626) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-1-phenylethanamine
PubChem CID43211626
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(3-ethylphenoxy)-1-phenylethanamine
SMILESCCc1cccc(OCC(N)c2ccccc2)c1
InChIInChI=1S/C16H19NO/c1-2-13-7-6-10-15(11-13)18-12-16(17)14-8-4-3-5-9-14/h3-11,16H,2,12,17H2,1H3
InChIKeyGNCYRKZQALPTES-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene
CID 65016153
2-(3-tert-butylphenoxy)-1-phenylethanamine
CID 43351796
2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43109790
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
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
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine
CID 63986560
2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162339872

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-1-phenylethanamine?
The IUPAC name of 2-(3-ethylphenoxy)-1-phenylethanamine (CID 43211626) is 2-(3-ethylphenoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(3-ethylphenoxy)-1-phenylethanamine?
The canonical SMILES for 2-(3-ethylphenoxy)-1-phenylethanamine is CCc1cccc(OCC(N)c2ccccc2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-1-phenylethanamine?
The InChIKey is GNCYRKZQALPTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-13-7-6-10-15(11-13)18-12-16(17)14-8-4-3-5-9-14/h3-11,16H,2,12,17H2,1H3.
What are the key properties of 2-(3-ethylphenoxy)-1-phenylethanamine?
2-(3-ethylphenoxy)-1-phenylethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.33, 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-phenylethanamine is sourced from PubChem (CID 43211626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).