1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine

C17H21NO — CID 55116130

IUPAC1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine
SMILESCCOc1ccc(C(C)(N)c2cccc(C)c2)cc1
InChIInChI=1S/C17H21NO/c1-4-19-16-10-8-14(9-11-16)17(3,18)15-7-5-6-13(2)12-15/h5-12H,4,18H2,1-3H3
InChIKeyPRSWJTBOARWYCB-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.62
Rot. Bonds4

About 1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine

1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine (PubChem CID 55116130) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine
PubChem CID55116130
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine
SMILESCCOc1ccc(C(C)(N)c2cccc(C)c2)cc1
InChIInChI=1S/C17H21NO/c1-4-19-16-10-8-14(9-11-16)17(3,18)15-7-5-6-13(2)12-15/h5-12H,4,18H2,1-3H3
InChIKeyPRSWJTBOARWYCB-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine (CID 55116130) is 1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine is CCOc1ccc(C(C)(N)c2cccc(C)c2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine?
The InChIKey is PRSWJTBOARWYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-19-16-10-8-14(9-11-16)17(3,18)15-7-5-6-13(2)12-15/h5-12H,4,18H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine?
1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 55116130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).