1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride

C19H28ClNO3 — CID 13332767

IUPAC1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride
SMILESCC(C)(C)NCC(O)COc1cccc2c3c(oc12)CCCC3.Cl
InChIInChI=1S/C19H27NO3.ClH/c1-19(2,3)20-11-13(21)12-22-17-10-6-8-15-14-7-4-5-9-16(14)23-18(15)17;/h6,8,10,13,20-21H,4-5,7,9,11-12H2,1-3H3;1H
InChIKeyGKBLUWJSILMWAE-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.86
Rot. Bonds5

About 1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride

1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride (PubChem CID 13332767) has the molecular formula C19H28ClNO3 and a molecular weight of 353.89 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride
PubChem CID13332767
Molecular FormulaC19H28ClNO3
Molecular Weight353.89 g/mol
Exact Mass353.18
IUPAC Name1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride
SMILESCC(C)(C)NCC(O)COc1cccc2c3c(oc12)CCCC3.Cl
InChIInChI=1S/C19H27NO3.ClH/c1-19(2,3)20-11-13(21)12-22-17-10-6-8-15-14-7-4-5-9-16(14)23-18(15)17;/h6,8,10,13,20-21H,4-5,7,9,11-12H2,1-3H3;1H
InChIKeyGKBLUWJSILMWAE-UHFFFAOYSA-N
XLogP3.86
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride with MolForge

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Related Compounds

(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol
CID 168637521
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
CID 115476114
3-chloro-5-[2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propoxy]xanthen-9-one;hydrochloride
CID 25242458
1-(tert-butylamino)-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688883
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 135213483
1-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]anthracene-9,10-dione
CID 97356918
8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-chromen-3-ol
CID 14839765
5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-8-chloro-3,4-dihydro-2H-naphthalen-1-one
CID 97356828

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride (CID 13332767) is 1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride is CC(C)(C)NCC(O)COc1cccc2c3c(oc12)CCCC3.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride?
The InChIKey is GKBLUWJSILMWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3.ClH/c1-19(2,3)20-11-13(21)12-22-17-10-6-8-15-14-7-4-5-9-16(14)23-18(15)17;/h6,8,10,13,20-21H,4-5,7,9,11-12H2,1-3H3;1H.
What are the key properties of 1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride?
1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 13332767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).