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

C18H26ClNO3 — CID 3078114

IUPAC1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COc1ccc2oc3c(c2c1)CCCC3.Cl
InChIInChI=1S/C18H25NO3.ClH/c1-12(2)19-10-13(20)11-21-14-7-8-18-16(9-14)15-5-3-4-6-17(15)22-18;/h7-9,12-13,19-20H,3-6,10-11H2,1-2H3;1H
InChIKeyCBROCJYDYNGREQ-UHFFFAOYSA-N
MW339.86 g/mol
LogP3.47
Rot. Bonds6

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

1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride (PubChem CID 3078114) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride
PubChem CID3078114
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Name1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COc1ccc2oc3c(c2c1)CCCC3.Cl
InChIInChI=1S/C18H25NO3.ClH/c1-12(2)19-10-13(20)11-21-14-7-8-18-16(9-14)15-5-3-4-6-17(15)22-18;/h7-9,12-13,19-20H,3-6,10-11H2,1-2H3;1H
InChIKeyCBROCJYDYNGREQ-UHFFFAOYSA-N
XLogP3.47
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride (CID 3078114) is 1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride is CC(C)NCC(O)COc1ccc2oc3c(c2c1)CCCC3.Cl.
What is the InChIKey of 1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride?
The InChIKey is CBROCJYDYNGREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3.ClH/c1-12(2)19-10-13(20)11-21-14-7-8-18-16(9-14)15-5-3-4-6-17(15)22-18;/h7-9,12-13,19-20H,3-6,10-11H2,1-2H3;1H.
What are the key properties of 1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride?
1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride has a molecular weight of 339.86 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 3078114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).