3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine

C15H25NO — CID 79018629

IUPAC3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25NO/c1-14(2,3)12-8-6-7-9-13(12)17-11-15(4,5)10-16/h6-9H,10-11,16H2,1-5H3
InChIKeyRUSHYGOXNAPTKE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.35
Rot. Bonds4

About 3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine

3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine (PubChem CID 79018629) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine
PubChem CID79018629
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25NO/c1-14(2,3)12-8-6-7-9-13(12)17-11-15(4,5)10-16/h6-9H,10-11,16H2,1-5H3
InChIKeyRUSHYGOXNAPTKE-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol
CID 64814834
3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine
CID 79018649
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769
2-(2-tert-butylphenoxy)acetamide
CID 17051379
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butylphenoxy)acetamide
CID 119523420
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
1-tert-butyl-2-prop-2-enoxybenzene
CID 637356
4-(2-tert-butylphenoxy)-2-methylbutan-1-amine
CID 112508268
lithium 2-(2-tert-butylphenoxy)acetate
CID 19205698
1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335927
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine (CID 79018629) is 3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine is CC(C)(CN)COc1ccccc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine?
The InChIKey is RUSHYGOXNAPTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2,3)12-8-6-7-9-13(12)17-11-15(4,5)10-16/h6-9H,10-11,16H2,1-5H3.
What are the key properties of 3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine?
3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79018629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).