1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine

C15H25NO — CID 94686640

IUPAC1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-14(2,3)12-7-9-13(10-8-12)17-11-15(4,5)16-6/h7-10,16H,11H2,1-6H3
InChIKeyNUPAHBVIPJRSQN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.36
Rot. Bonds4

About 1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine

1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine (PubChem CID 94686640) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine
PubChem CID94686640
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-14(2,3)12-7-9-13(10-8-12)17-11-15(4,5)16-6/h7-10,16H,11H2,1-6H3
InChIKeyNUPAHBVIPJRSQN-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine (CID 94686640) is 1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine is CNC(C)(C)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine?
The InChIKey is NUPAHBVIPJRSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2,3)12-7-9-13(10-8-12)17-11-15(4,5)16-6/h7-10,16H,11H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine?
1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 94686640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).