1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol

C20H25N3O2 — CID 10830953

IUPAC1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol
SMILESCCC(C)NCC(O)COc1cccc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-15(2)21-12-17(24)14-25-20-11-7-10-19-18(20)13-22-23(19)16-8-5-4-6-9-16/h4-11,13,15,17,21,24H,3,12,14H2,1-2H3
InChIKeyUWKNPMBMDUWHPI-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.15
Rot. Bonds8

About 1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol

1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol (PubChem CID 10830953) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol
PubChem CID10830953
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol
SMILESCCC(C)NCC(O)COc1cccc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-15(2)21-12-17(24)14-25-20-11-7-10-19-18(20)13-22-23(19)16-8-5-4-6-9-16/h4-11,13,15,17,21,24H,3,12,14H2,1-2H3
InChIKeyUWKNPMBMDUWHPI-UHFFFAOYSA-N
XLogP3.15
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol
CID 3051857
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
(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
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
CID 44785149
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol?
The IUPAC name of 1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol (CID 10830953) is 1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol.
What is the SMILES notation for 1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol?
The canonical SMILES for 1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol is CCC(C)NCC(O)COc1cccc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol?
The InChIKey is UWKNPMBMDUWHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-15(2)21-12-17(24)14-25-20-11-7-10-19-18(20)13-22-23(19)16-8-5-4-6-9-16/h4-11,13,15,17,21,24H,3,12,14H2,1-2H3.
What are the key properties of 1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol?
1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol has a molecular weight of 339.44 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol is sourced from PubChem (CID 10830953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).