(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C14H21ClN2O2 — CID 172866223

IUPAC(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NC[C@@H](O)COc1cccc2[nH]ccc12.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13;/h3-7,10-11,15-17H,8-9H2,1-2H3;1H/t11-;/m1./s1
InChIKeyMAUPDHMFNIUWSK-RFVHGSKJSA-N
MW284.79 g/mol
LogP2.33
Rot. Bonds6

About (2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride

(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 172866223) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID172866223
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NC[C@@H](O)COc1cccc2[nH]ccc12.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13;/h3-7,10-11,15-17H,8-9H2,1-2H3;1H/t11-;/m1./s1
InChIKeyMAUPDHMFNIUWSK-RFVHGSKJSA-N
XLogP2.33
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-but-2-enedioic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 6443036
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 67681123
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
(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-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 3072982
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol
CID 22113437
1-(1H-indol-4-yloxy)-3-(2-propan-2-ylsulfanylbutan-2-ylamino)propan-2-ol
CID 23335526
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol
CID 165412095
1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
CID 154122806

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of (2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 172866223) is (2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for (2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for (2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12.Cl.
What is the InChIKey of (2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is MAUPDHMFNIUWSK-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13;/h3-7,10-11,15-17H,8-9H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 172866223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).