4-(2-tert-butylphenoxy)-2-methylbutan-1-amine

C15H25NO — CID 112508268

IUPAC4-(2-tert-butylphenoxy)-2-methylbutan-1-amine
SMILESCC(CN)CCOc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25NO/c1-12(11-16)9-10-17-14-8-6-5-7-13(14)15(2,3)4/h5-8,12H,9-11,16H2,1-4H3
InChIKeyQCCZTHBVJSFZIU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.35
Rot. Bonds5

About 4-(2-tert-butylphenoxy)-2-methylbutan-1-amine

4-(2-tert-butylphenoxy)-2-methylbutan-1-amine (PubChem CID 112508268) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(2-tert-butylphenoxy)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(2-tert-butylphenoxy)-2-methylbutan-1-amine
PubChem CID112508268
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(2-tert-butylphenoxy)-2-methylbutan-1-amine
SMILESCC(CN)CCOc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25NO/c1-12(11-16)9-10-17-14-8-6-5-7-13(14)15(2,3)4/h5-8,12H,9-11,16H2,1-4H3
InChIKeyQCCZTHBVJSFZIU-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
1-tert-butyl-2-heptoxybenzene
CID 64763672
3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine
CID 79018629
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723
1-(9-bromononoxy)-2-tert-butylbenzene
CID 105343207
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol
CID 64814834
2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine
CID 55145902
4-(2-tert-butylphenoxy)-2-(propylamino)butanenitrile
CID 63029977
3-[2-(2-fluoropropan-2-yl)phenoxy]propan-1-amine
CID 115027439

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylphenoxy)-2-methylbutan-1-amine?
The IUPAC name of 4-(2-tert-butylphenoxy)-2-methylbutan-1-amine (CID 112508268) is 4-(2-tert-butylphenoxy)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(2-tert-butylphenoxy)-2-methylbutan-1-amine?
The canonical SMILES for 4-(2-tert-butylphenoxy)-2-methylbutan-1-amine is CC(CN)CCOc1ccccc1C(C)(C)C.
What is the InChIKey of 4-(2-tert-butylphenoxy)-2-methylbutan-1-amine?
The InChIKey is QCCZTHBVJSFZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(11-16)9-10-17-14-8-6-5-7-13(14)15(2,3)4/h5-8,12H,9-11,16H2,1-4H3.
What are the key properties of 4-(2-tert-butylphenoxy)-2-methylbutan-1-amine?
4-(2-tert-butylphenoxy)-2-methylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylphenoxy)-2-methylbutan-1-amine is sourced from PubChem (CID 112508268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).