2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine

C19H25NO — CID 43094130

IUPAC2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)COc2ccc(CC)cc2)cc1
InChIInChI=1S/C19H25NO/c1-3-5-16-6-10-17(11-7-16)19(20)14-21-18-12-8-15(4-2)9-13-18/h6-13,19H,3-5,14,20H2,1-2H3
InChIKeyUPSITSMGNPTUQS-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.28
Rot. Bonds7

About 2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine

2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine (PubChem CID 43094130) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine
PubChem CID43094130
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)COc2ccc(CC)cc2)cc1
InChIInChI=1S/C19H25NO/c1-3-5-16-6-10-17(11-7-16)19(20)14-21-18-12-8-15(4-2)9-13-18/h6-13,19H,3-5,14,20H2,1-2H3
InChIKeyUPSITSMGNPTUQS-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine (CID 43094130) is 2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(N)COc2ccc(CC)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine?
The InChIKey is UPSITSMGNPTUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-5-16-6-10-17(11-7-16)19(20)14-21-18-12-8-15(4-2)9-13-18/h6-13,19H,3-5,14,20H2,1-2H3.
What are the key properties of 2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine?
2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 43094130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).