2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine

C14H23NO — CID 102987139

IUPAC2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine
SMILESCCCC(C)OCc1ccc(CCN)cc1
InChIInChI=1S/C14H23NO/c1-3-4-12(2)16-11-14-7-5-13(6-8-14)9-10-15/h5-8,12H,3-4,9-11,15H2,1-2H3
InChIKeyJEEMALCXWOOKNQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.89
Rot. Bonds7

About 2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine

2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine (PubChem CID 102987139) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine
PubChem CID102987139
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine
SMILESCCCC(C)OCc1ccc(CCN)cc1
InChIInChI=1S/C14H23NO/c1-3-4-12(2)16-11-14-7-5-13(6-8-14)9-10-15/h5-8,12H,3-4,9-11,15H2,1-2H3
InChIKeyJEEMALCXWOOKNQ-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine (CID 102987139) is 2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine is CCCC(C)OCc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine?
The InChIKey is JEEMALCXWOOKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-12(2)16-11-14-7-5-13(6-8-14)9-10-15/h5-8,12H,3-4,9-11,15H2,1-2H3.
What are the key properties of 2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine?
2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine is sourced from PubChem (CID 102987139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).