3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine

C15H26N2O — CID 112500956

IUPAC3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCN(C)C(CN)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-15(2,3)12-6-8-14(9-7-12)18-11-13(10-16)17(4)5/h6-9,13H,10-11,16H2,1-5H3
InChIKeyJUXDCAJHFZSHAC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.25
Rot. Bonds5

About 3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine

3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 112500956) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID112500956
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCN(C)C(CN)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-15(2,3)12-6-8-14(9-7-12)18-11-13(10-16)17(4)5/h6-9,13H,10-11,16H2,1-5H3
InChIKeyJUXDCAJHFZSHAC-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
4-amino-1-(4-tert-butylphenoxy)butan-2-ol
CID 112500941
1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43106889
N,N-dimethyl-1,3-diphenoxypropan-2-amine
CID 141461197
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 9159137
2-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 50988085
1-[2-(bromomethyl)butoxy]-4-tert-butylbenzene
CID 64995324
1-(4-tert-butylphenoxy)-3-(3,5-ditert-butylphenoxy)propan-2-ol
CID 140533056
methyl (3S)-4-(4-tert-butylphenoxy)-3-hydroxybutanoate
CID 125470030

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine (CID 112500956) is 3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine is CN(C)C(CN)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is JUXDCAJHFZSHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)12-6-8-14(9-7-12)18-11-13(10-16)17(4)5/h6-9,13H,10-11,16H2,1-5H3.
What are the key properties of 3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine?
3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenoxy)-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 112500956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).