(2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol

C22H28N2O3 — CID 3077196

IUPAC(2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol
SMILESCC(C)(C)NC[C@@H](O)COc1ccccc1[C@H](O)c1cccc2[nH]ccc12
InChIInChI=1S/C22H28N2O3/c1-22(2,3)24-13-15(25)14-27-20-10-5-4-7-18(20)21(26)17-8-6-9-19-16(17)11-12-23-19/h4-12,15,21,23-26H,13-14H2,1-3H3/t15-,21-/m1/s1
InChIKeyMWXVAVSBBFJYFJ-QVKFZJNVSA-N
MW368.48 g/mol
LogP3.38
Rot. Bonds7

About (2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol

(2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol (PubChem CID 3077196) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol
PubChem CID3077196
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol
SMILESCC(C)(C)NC[C@@H](O)COc1ccccc1[C@H](O)c1cccc2[nH]ccc12
InChIInChI=1S/C22H28N2O3/c1-22(2,3)24-13-15(25)14-27-20-10-5-4-7-18(20)21(26)17-8-6-9-19-16(17)11-12-23-19/h4-12,15,21,23-26H,13-14H2,1-3H3/t15-,21-/m1/s1
InChIKeyMWXVAVSBBFJYFJ-QVKFZJNVSA-N
XLogP3.38
TPSA77.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

benzoic acid;(2R)-1-(tert-butylamino)-3-[2-[(S)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol
CID 3077197
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one
CID 3066297
1-(1H-indol-4-yloxy)-3-(2-propan-2-ylsulfanylbutan-2-ylamino)propan-2-ol
CID 23335526
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
2,2,2-trifluoro-N-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]acetamide
CID 542557
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
CID 115476114
1-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]anthracene-9,10-dione
CID 97356918
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
1-(tert-butylamino)-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688883

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol (CID 3077196) is (2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol is CC(C)(C)NC[C@@H](O)COc1ccccc1[C@H](O)c1cccc2[nH]ccc12.
What is the InChIKey of (2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol?
The InChIKey is MWXVAVSBBFJYFJ-QVKFZJNVSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-22(2,3)24-13-15(25)14-27-20-10-5-4-7-18(20)21(26)17-8-6-9-19-16(17)11-12-23-19/h4-12,15,21,23-26H,13-14H2,1-3H3/t15-,21-/m1/s1.
What are the key properties of (2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol?
(2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol has a molecular weight of 368.48 g/mol, XLogP of 3.38, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 3077196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).