2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol

C20H32FNO — CID 13233430

IUPAC2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCCCN(CCC)CC1CCCCC1(O)Cc1ccccc1F
InChIInChI=1S/C20H32FNO/c1-3-13-22(14-4-2)16-18-10-7-8-12-20(18,23)15-17-9-5-6-11-19(17)21/h5-6,9,11,18,23H,3-4,7-8,10,12-16H2,1-2H3
InChIKeyPXLCHBDFQHMXBN-UHFFFAOYSA-N
MW321.48 g/mol
LogP4.41
Rot. Bonds8

About 2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol

2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 13233430) has the molecular formula C20H32FNO and a molecular weight of 321.48 g/mol. Its IUPAC name is 2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID13233430
Molecular FormulaC20H32FNO
Molecular Weight321.48 g/mol
Exact Mass321.25
IUPAC Name2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCCCN(CCC)CC1CCCCC1(O)Cc1ccccc1F
InChIInChI=1S/C20H32FNO/c1-3-13-22(14-4-2)16-18-10-7-8-12-20(18,23)15-17-9-5-6-11-19(17)21/h5-6,9,11,18,23H,3-4,7-8,10,12-16H2,1-2H3
InChIKeyPXLCHBDFQHMXBN-UHFFFAOYSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol (CID 13233430) is 2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol is CCCN(CCC)CC1CCCCC1(O)Cc1ccccc1F.
What is the InChIKey of 2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is PXLCHBDFQHMXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FNO/c1-3-13-22(14-4-2)16-18-10-7-8-12-20(18,23)15-17-9-5-6-11-19(17)21/h5-6,9,11,18,23H,3-4,7-8,10,12-16H2,1-2H3.
What are the key properties of 2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 321.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 13233430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).