1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol

C15H27N3O2 — CID 20513342

IUPAC1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol
SMILESCc1cc(OCC(O)CNC(C)(C)C)c(N)c(N)c1C
InChIInChI=1S/C15H27N3O2/c1-9-6-12(14(17)13(16)10(9)2)20-8-11(19)7-18-15(3,4)5/h6,11,18-19H,7-8,16-17H2,1-5H3
InChIKeyPSOUMYHXOBPLDF-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.60
Rot. Bonds5

About 1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol

1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol (PubChem CID 20513342) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol
PubChem CID20513342
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol
SMILESCc1cc(OCC(O)CNC(C)(C)C)c(N)c(N)c1C
InChIInChI=1S/C15H27N3O2/c1-9-6-12(14(17)13(16)10(9)2)20-8-11(19)7-18-15(3,4)5/h6,11,18-19H,7-8,16-17H2,1-5H3
InChIKeyPSOUMYHXOBPLDF-UHFFFAOYSA-N
XLogP1.60
TPSA93.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-diamino-4,5-dimethylphenoxy)-3-(propylamino)propan-2-ol
CID 20513310
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 959161
1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44787018
1-(2-amino-5-bromophenoxy)-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 21421211
3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-methylbenzonitrile
CID 107657472
(2S)-1-(tert-butylamino)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 780164
1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 21490518
1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
CID 115476114
4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-fluorobenzene-1,2-diol
CID 559929
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
1-(tert-butylamino)-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688883

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol (CID 20513342) is 1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol is Cc1cc(OCC(O)CNC(C)(C)C)c(N)c(N)c1C.
What is the InChIKey of 1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol?
The InChIKey is PSOUMYHXOBPLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-9-6-12(14(17)13(16)10(9)2)20-8-11(19)7-18-15(3,4)5/h6,11,18-19H,7-8,16-17H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol?
1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 20513342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).