(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol

C18H31NO3 — CID 41135244

IUPAC(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCOc1ccc(OC[C@H](O)CNCC(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C18H31NO3/c1-13(2)10-19-11-14(20)12-22-17-8-7-15(21-6)9-16(17)18(3,4)5/h7-9,13-14,19-20H,10-12H2,1-6H3/t14-/m1/s1
InChIKeyGWVRZYKUHXLRIF-CQSZACIVSA-N
MW309.45 g/mol
LogP2.98
Rot. Bonds8

About (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol

(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 41135244) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
PubChem CID41135244
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCOc1ccc(OC[C@H](O)CNCC(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C18H31NO3/c1-13(2)10-19-11-14(20)12-22-17-8-7-15(21-6)9-16(17)18(3,4)5/h7-9,13-14,19-20H,10-12H2,1-6H3/t14-/m1/s1
InChIKeyGWVRZYKUHXLRIF-CQSZACIVSA-N
XLogP2.98
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 43090696
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2133971
1-(2-tert-butyl-4-methoxyphenoxy)-3-(3-propan-2-yloxypropylamino)propan-2-ol
CID 42909782
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 7998304
2-[[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 39915376
[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 100798601
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
1-(2-tert-butyl-4-methoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959124
1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol
CID 132585840
[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-[(2R)-1-methoxypropan-2-yl]azanium
CID 2129327
[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 2532633

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol (CID 41135244) is (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol is COc1ccc(OC[C@H](O)CNCC(C)C)c(C(C)(C)C)c1.
What is the InChIKey of (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is GWVRZYKUHXLRIF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H31NO3/c1-13(2)10-19-11-14(20)12-22-17-8-7-15(21-6)9-16(17)18(3,4)5/h7-9,13-14,19-20H,10-12H2,1-6H3/t14-/m1/s1.
What are the key properties of (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol?
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 309.45 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 41135244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).