(2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol

C18H27N3O3 — CID 67664959

IUPAC(2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol
SMILESCCCN(C[C@H](O)COc1cccc2[nH]ccc12)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c1-2-8-21(20-9-11-23-12-10-20)13-15(22)14-24-18-5-3-4-17-16(18)6-7-19-17/h3-7,15,19,22H,2,8-14H2,1H3/t15-/m0/s1
InChIKeyGJCXBWZSUMSKTD-HNNXBMFYSA-N
MW333.43 g/mol
LogP1.87
Rot. Bonds8

About (2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol

(2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol (PubChem CID 67664959) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol
PubChem CID67664959
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol
SMILESCCCN(C[C@H](O)COc1cccc2[nH]ccc12)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c1-2-8-21(20-9-11-23-12-10-20)13-15(22)14-24-18-5-3-4-17-16(18)6-7-19-17/h3-7,15,19,22H,2,8-14H2,1H3/t15-/m0/s1
InChIKeyGJCXBWZSUMSKTD-HNNXBMFYSA-N
XLogP1.87
TPSA60.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol
CID 166212862
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
1-[tert-butyl-[[4-(dimethylamino)phenyl]methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 162664102
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 155171662
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
CID 13116553
1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol
CID 138020555
2-[2-hydroxy-3-(1H-indol-4-yloxy)propoxy]benzonitrile
CID 75432801
3-[(2S,3S,4S)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-3-methyl-4-propylpiperidin-2-yl]phenol
CID 142627622
(2S)-1-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 57214508
(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 97327080

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol (CID 67664959) is (2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol is CCCN(C[C@H](O)COc1cccc2[nH]ccc12)N1CCOCC1.
What is the InChIKey of (2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol?
The InChIKey is GJCXBWZSUMSKTD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-8-21(20-9-11-23-12-10-20)13-15(22)14-24-18-5-3-4-17-16(18)6-7-19-17/h3-7,15,19,22H,2,8-14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol?
(2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol has a molecular weight of 333.43 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol is sourced from PubChem (CID 67664959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).