2-(3-ethoxyphenoxy)-1-phenylethanamine

C16H19NO2 — CID 62335579

IUPAC2-(3-ethoxyphenoxy)-1-phenylethanamine
SMILESCCOc1cccc(OCC(N)c2ccccc2)c1
InChIInChI=1S/C16H19NO2/c1-2-18-14-9-6-10-15(11-14)19-12-16(17)13-7-4-3-5-8-13/h3-11,16H,2,12,17H2,1H3
InChIKeyDORBRZIEKOIZRH-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.16
Rot. Bonds6

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

2-(3-ethoxyphenoxy)-1-phenylethanamine (PubChem CID 62335579) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-1-phenylethanamine
PubChem CID62335579
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-(3-ethoxyphenoxy)-1-phenylethanamine
SMILESCCOc1cccc(OCC(N)c2ccccc2)c1
InChIInChI=1S/C16H19NO2/c1-2-18-14-9-6-10-15(11-14)19-12-16(17)13-7-4-3-5-8-13/h3-11,16H,2,12,17H2,1H3
InChIKeyDORBRZIEKOIZRH-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
2-(3-tert-butylphenoxy)-1-phenylethanamine
CID 43351796
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
2-(4-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 16791340
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162339872
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
2-(3,4-difluorophenoxy)-1-phenylethanamine
CID 63772754

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-1-phenylethanamine?
The IUPAC name of 2-(3-ethoxyphenoxy)-1-phenylethanamine (CID 62335579) is 2-(3-ethoxyphenoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-1-phenylethanamine?
The canonical SMILES for 2-(3-ethoxyphenoxy)-1-phenylethanamine is CCOc1cccc(OCC(N)c2ccccc2)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-1-phenylethanamine?
The InChIKey is DORBRZIEKOIZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-18-14-9-6-10-15(11-14)19-12-16(17)13-7-4-3-5-8-13/h3-11,16H,2,12,17H2,1H3.
What are the key properties of 2-(3-ethoxyphenoxy)-1-phenylethanamine?
2-(3-ethoxyphenoxy)-1-phenylethanamine has a molecular weight of 257.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-1-phenylethanamine is sourced from PubChem (CID 62335579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).