1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine

C13H21NO — CID 79023730

IUPAC1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine
SMILESCc1ccc(C)c(OCC(N)C(C)C)c1
InChIInChI=1S/C13H21NO/c1-9(2)12(14)8-15-13-7-10(3)5-6-11(13)4/h5-7,9,12H,8,14H2,1-4H3
InChIKeyUXMSEBYXZVQXRG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds4

About 1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine

1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine (PubChem CID 79023730) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine
PubChem CID79023730
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine
SMILESCc1ccc(C)c(OCC(N)C(C)C)c1
InChIInChI=1S/C13H21NO/c1-9(2)12(14)8-15-13-7-10(3)5-6-11(13)4/h5-7,9,12H,8,14H2,1-4H3
InChIKeyUXMSEBYXZVQXRG-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylphenoxy)-2-methylpropanoic acid
CID 43537634
3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol
CID 82075966
3-(2,5-dimethylphenoxy)-2-methylpropanenitrile
CID 43174872
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
(2,5-dimethylphenoxy)methanamine
CID 89376053
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64803102
N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine
CID 60690317
1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine
CID 43098131
2-(2,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63476135
1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
CID 63907048

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine (CID 79023730) is 1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine is Cc1ccc(C)c(OCC(N)C(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine?
The InChIKey is UXMSEBYXZVQXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)12(14)8-15-13-7-10(3)5-6-11(13)4/h5-7,9,12H,8,14H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine?
1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine is sourced from PubChem (CID 79023730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).