3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine

C23H25NO2 — CID 112538857

IUPAC3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
SMILESCCOc1cccc(CC(CN)c2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C23H25NO2/c1-2-25-22-12-6-8-18(15-22)14-20(17-24)19-9-7-13-23(16-19)26-21-10-4-3-5-11-21/h3-13,15-16,20H,2,14,17,24H2,1H3
InChIKeyUDPXURBOBCWIQQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.16
Rot. Bonds8

About 3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine

3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine (PubChem CID 112538857) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
PubChem CID112538857
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
SMILESCCOc1cccc(CC(CN)c2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C23H25NO2/c1-2-25-22-12-6-8-18(15-22)14-20(17-24)19-9-7-13-23(16-19)26-21-10-4-3-5-11-21/h3-13,15-16,20H,2,14,17,24H2,1H3
InChIKeyUDPXURBOBCWIQQ-UHFFFAOYSA-N
XLogP5.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973269
2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
CID 83975343
2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83972725
3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973436
2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 82160286
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248
2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83973683
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine
CID 83973282
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590
2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
CID 20546345

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine (CID 112538857) is 3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine is CCOc1cccc(CC(CN)c2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine?
The InChIKey is UDPXURBOBCWIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-2-25-22-12-6-8-18(15-22)14-20(17-24)19-9-7-13-23(16-19)26-21-10-4-3-5-11-21/h3-13,15-16,20H,2,14,17,24H2,1H3.
What are the key properties of 3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine?
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine has a molecular weight of 347.46 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine is sourced from PubChem (CID 112538857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).