1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol

C15H25NO3 — CID 25145318

IUPAC1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol
SMILES[2H]C(C)(C)NCC(O)COc1ccc(CCOC([2H])([2H])[2H])cc1
InChIInChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/i3D3,12D
InChIKeyIUBSYMUCCVWXPE-ZRJNVTFKSA-N
MW271.39 g/mol
LogP1.61
Rot. Bonds10

About 1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol

1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol (PubChem CID 25145318) has the molecular formula C15H25NO3 and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol
PubChem CID25145318
Molecular FormulaC15H25NO3
Molecular Weight271.39 g/mol
Exact Mass271.21
IUPAC Name1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol
SMILES[2H]C(C)(C)NCC(O)COc1ccc(CCOC([2H])([2H])[2H])cc1
InChIInChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/i3D3,12D
InChIKeyIUBSYMUCCVWXPE-ZRJNVTFKSA-N
XLogP1.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

methanol;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 175047598
1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol;methylboronic acid
CID 22295643
1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethyl)phenoxy]propan-2-ol
CID 59432716
2,3-dihydroxybutanedioic acid;bis((2R)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol)
CID 90661400
(2S)-2-[[(2R)-2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]butan-1-ol
CID 25186198
1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol
CID 71336051
4-[(2S)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenol
CID 162640517
1-[4-[2-(2-ethoxyethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 22056552
1-(propan-2-ylamino)-3-[4-[2-(2-propan-2-yloxyethoxy)ethyl]phenoxy]propan-2-ol
CID 4713278
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
2-[[4-(2-methoxyethyl)phenoxy]methyl]oxirane;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol;propan-2-amine
CID 161341439

Frequently Asked Questions

What is the IUPAC name of 1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol?
The IUPAC name of 1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol (CID 25145318) is 1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol is [2H]C(C)(C)NCC(O)COc1ccc(CCOC([2H])([2H])[2H])cc1.
What is the InChIKey of 1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol?
The InChIKey is IUBSYMUCCVWXPE-ZRJNVTFKSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/i3D3,12D.
What are the key properties of 1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol?
1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol has a molecular weight of 271.39 g/mol, XLogP of 1.61, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-deuteriopropan-2-ylamino)-3-[4-[2-(trideuteriomethoxy)ethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 25145318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).