1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine

C19H25N — CID 63477985

IUPAC1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
SMILESCCc1ccc(C(C)NCCc2cccc(C)c2)cc1
InChIInChI=1S/C19H25N/c1-4-17-8-10-19(11-9-17)16(3)20-13-12-18-7-5-6-15(2)14-18/h5-11,14,16,20H,4,12-13H2,1-3H3
InChIKeyWXIIABXWHQBLOZ-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.45
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine

1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine (PubChem CID 63477985) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
PubChem CID63477985
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
SMILESCCc1ccc(C(C)NCCc2cccc(C)c2)cc1
InChIInChI=1S/C19H25N/c1-4-17-8-10-19(11-9-17)16(3)20-13-12-18-7-5-6-15(2)14-18/h5-11,14,16,20H,4,12-13H2,1-3H3
InChIKeyWXIIABXWHQBLOZ-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine (CID 63477985) is 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine is CCc1ccc(C(C)NCCc2cccc(C)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
The InChIKey is WXIIABXWHQBLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-4-17-8-10-19(11-9-17)16(3)20-13-12-18-7-5-6-15(2)14-18/h5-11,14,16,20H,4,12-13H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine has a molecular weight of 267.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 63477985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).