2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine

C19H25NO — CID 107663903

IUPAC2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine
SMILESCCC(C)c1ccc(OC(CN)c2cccc(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-4-15(3)16-8-10-18(11-9-16)21-19(13-20)17-7-5-6-14(2)12-17/h5-12,15,19H,4,13,20H2,1-3H3
InChIKeyCSLJQAFBFYKXAX-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.59
Rot. Bonds6

About 2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine

2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine (PubChem CID 107663903) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine
PubChem CID107663903
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine
SMILESCCC(C)c1ccc(OC(CN)c2cccc(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-4-15(3)16-8-10-18(11-9-16)21-19(13-20)17-7-5-6-14(2)12-17/h5-12,15,19H,4,13,20H2,1-3H3
InChIKeyCSLJQAFBFYKXAX-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine (CID 107663903) is 2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine is CCC(C)c1ccc(OC(CN)c2cccc(C)c2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine?
The InChIKey is CSLJQAFBFYKXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-15(3)16-8-10-18(11-9-16)21-19(13-20)17-7-5-6-14(2)12-17/h5-12,15,19H,4,13,20H2,1-3H3.
What are the key properties of 2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine?
2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 107663903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).