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

C21H30ClNO3 — CID 3078118

IUPAC1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCCCC1)COc1ccc2oc3c(c2c1)CCCC3
InChIInChI=1S/C21H29NO3.ClH/c23-16(13-22-15-6-2-1-3-7-15)14-24-17-10-11-21-19(12-17)18-8-4-5-9-20(18)25-21;/h10-12,15-16,22-23H,1-9,13-14H2;1H
InChIKeyXPRHEHIZWFYLTK-UHFFFAOYSA-N
MW379.93 g/mol
LogP4.40
Rot. Bonds6

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

1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride (PubChem CID 3078118) has the molecular formula C21H30ClNO3 and a molecular weight of 379.93 g/mol. Its IUPAC name is 1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride
PubChem CID3078118
Molecular FormulaC21H30ClNO3
Molecular Weight379.93 g/mol
Exact Mass379.19
IUPAC Name1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCCCC1)COc1ccc2oc3c(c2c1)CCCC3
InChIInChI=1S/C21H29NO3.ClH/c23-16(13-22-15-6-2-1-3-7-15)14-24-17-10-11-21-19(12-17)18-8-4-5-9-20(18)25-21;/h10-12,15-16,22-23H,1-9,13-14H2;1H
InChIKeyXPRHEHIZWFYLTK-UHFFFAOYSA-N
XLogP4.40
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride (CID 3078118) is 1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride is Cl.OC(CNC1CCCCC1)COc1ccc2oc3c(c2c1)CCCC3.
What is the InChIKey of 1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride?
The InChIKey is XPRHEHIZWFYLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3.ClH/c23-16(13-22-15-6-2-1-3-7-15)14-24-17-10-11-21-19(12-17)18-8-4-5-9-20(18)25-21;/h10-12,15-16,22-23H,1-9,13-14H2;1H.
What are the key properties of 1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride?
1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 3078118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).