1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol

C15H22N2O2 — CID 12790151

IUPAC1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
SMILESCCC(C)NCC(O)COc1cccc2[nH]ccc12
InChIInChI=1S/C15H22N2O2/c1-3-11(2)17-9-12(18)10-19-15-6-4-5-14-13(15)7-8-16-14/h4-8,11-12,16-18H,3,9-10H2,1-2H3
InChIKeyYIUIPTVCXWPNJM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.30
Rot. Bonds7

About 1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol

1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol (PubChem CID 12790151) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
PubChem CID12790151
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
SMILESCCC(C)NCC(O)COc1cccc2[nH]ccc12
InChIInChI=1S/C15H22N2O2/c1-3-11(2)17-9-12(18)10-19-15-6-4-5-14-13(15)7-8-16-14/h4-8,11-12,16-18H,3,9-10H2,1-2H3
InChIKeyYIUIPTVCXWPNJM-UHFFFAOYSA-N
XLogP2.30
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
(E)-but-2-enedioic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 6443036
2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 67681123
1-(1H-indol-4-yloxy)-3-(2-propan-2-ylsulfanylbutan-2-ylamino)propan-2-ol
CID 23335526
(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 4728858
1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol
CID 3051857
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-(1-phenylindazol-4-yl)oxypropan-2-ol
CID 10830953

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol?
The IUPAC name of 1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol (CID 12790151) is 1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol?
The canonical SMILES for 1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol is CCC(C)NCC(O)COc1cccc2[nH]ccc12.
What is the InChIKey of 1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol?
The InChIKey is YIUIPTVCXWPNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-11(2)17-9-12(18)10-19-15-6-4-5-14-13(15)7-8-16-14/h4-8,11-12,16-18H,3,9-10H2,1-2H3.
What are the key properties of 1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol?
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol has a molecular weight of 262.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol is sourced from PubChem (CID 12790151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).