3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine

C15H25NO — CID 61220683

IUPAC3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
SMILESCc1cc(C)c(OCC(N)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H25NO/c1-10-7-11(2)14(12(3)8-10)17-9-13(16)15(4,5)6/h7-8,13H,9,16H2,1-6H3
InChIKeyXONNJSLBIBHYTN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.36
Rot. Bonds3

About 3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine

3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine (PubChem CID 61220683) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
PubChem CID61220683
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
SMILESCc1cc(C)c(OCC(N)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H25NO/c1-10-7-11(2)14(12(3)8-10)17-9-13(16)15(4,5)6/h7-8,13H,9,16H2,1-6H3
InChIKeyXONNJSLBIBHYTN-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine
CID 82027680
3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine
CID 103366783
tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium
CID 786489
1-(2,4,6-trimethylphenoxy)butan-2-ol
CID 61218210
5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
CID 158039757
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
1-(2-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)ethanamine
CID 61220878
N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
CID 62041063
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,4,6-trimethylphenoxy)propanoate
CID 58592000
2,2-dimethyl-3-(2,4,6-trimethylphenoxy)propanethioamide
CID 82087771
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine (CID 61220683) is 3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine is Cc1cc(C)c(OCC(N)C(C)(C)C)c(C)c1.
What is the InChIKey of 3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine?
The InChIKey is XONNJSLBIBHYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-7-11(2)14(12(3)8-10)17-9-13(16)15(4,5)6/h7-8,13H,9,16H2,1-6H3.
What are the key properties of 3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine?
3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine is sourced from PubChem (CID 61220683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).