2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine

C19H25NO — CID 22687337

IUPAC2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine
SMILESCc1cccc(C(C)(C)C)c1Oc1ccc(CCN)cc1
InChIInChI=1S/C19H25NO/c1-14-6-5-7-17(19(2,3)4)18(14)21-16-10-8-15(9-11-16)12-13-20/h5-11H,12-13,20H2,1-4H3
InChIKeyPALGHUGMPCVLAF-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.59
Rot. Bonds4

About 2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine

2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine (PubChem CID 22687337) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine
PubChem CID22687337
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine
SMILESCc1cccc(C(C)(C)C)c1Oc1ccc(CCN)cc1
InChIInChI=1S/C19H25NO/c1-14-6-5-7-17(19(2,3)4)18(14)21-16-10-8-15(9-11-16)12-13-20/h5-11H,12-13,20H2,1-4H3
InChIKeyPALGHUGMPCVLAF-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine (CID 22687337) is 2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine is Cc1cccc(C(C)(C)C)c1Oc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine?
The InChIKey is PALGHUGMPCVLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-6-5-7-17(19(2,3)4)18(14)21-16-10-8-15(9-11-16)12-13-20/h5-11H,12-13,20H2,1-4H3.
What are the key properties of 2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine?
2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 22687337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).