1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol

C24H44N2O4 — CID 21490518

IUPAC1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(C(C)(C)C)cc1OCC(O)CNC(C)(C)C
InChIInChI=1S/C24H44N2O4/c1-22(2,3)17-10-11-20(29-15-18(27)13-25-23(4,5)6)21(12-17)30-16-19(28)14-26-24(7,8)9/h10-12,18-19,25-28H,13-16H2,1-9H3
InChIKeyXVUGRYYNJHOMPD-UHFFFAOYSA-N
MW424.63 g/mol
LogP3.24
Rot. Bonds10

About 1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol

1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol (PubChem CID 21490518) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
PubChem CID21490518
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Name1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(C(C)(C)C)cc1OCC(O)CNC(C)(C)C
InChIInChI=1S/C24H44N2O4/c1-22(2,3)17-10-11-20(29-15-18(27)13-25-23(4,5)6)21(12-17)30-16-19(28)14-26-24(7,8)9/h10-12,18-19,25-28H,13-16H2,1-9H3
InChIKeyXVUGRYYNJHOMPD-UHFFFAOYSA-N
XLogP3.24
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol with MolForge

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Related Compounds

(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 959161
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44787018
4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-methoxybenzonitrile
CID 21421199
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-fluorobenzene-1,2-diol
CID 559929
1-(tert-butylamino)-3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol;oxalic acid
CID 24905848
1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol
CID 20513342
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650
1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
CID 115476114
1-(2-amino-5-bromophenoxy)-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 21421211

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol (CID 21490518) is 1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol is CC(C)(C)NCC(O)COc1ccc(C(C)(C)C)cc1OCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The InChIKey is XVUGRYYNJHOMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-22(2,3)17-10-11-20(29-15-18(27)13-25-23(4,5)6)21(12-17)30-16-19(28)14-26-24(7,8)9/h10-12,18-19,25-28H,13-16H2,1-9H3.
What are the key properties of 1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol?
1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol has a molecular weight of 424.63 g/mol, XLogP of 3.24, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol is sourced from PubChem (CID 21490518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).