2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride

C15H23ClFNO — CID 45264176

IUPAC2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride
SMILESCCCN(CCC)C1CC1c1cc(F)ccc1O.Cl
InChIInChI=1S/C15H22FNO.ClH/c1-3-7-17(8-4-2)14-10-12(14)13-9-11(16)5-6-15(13)18;/h5-6,9,12,14,18H,3-4,7-8,10H2,1-2H3;1H
InChIKeyAEXJVJBZDNXZKT-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.93
Rot. Bonds6

About 2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride

2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride (PubChem CID 45264176) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride
PubChem CID45264176
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride
SMILESCCCN(CCC)C1CC1c1cc(F)ccc1O.Cl
InChIInChI=1S/C15H22FNO.ClH/c1-3-7-17(8-4-2)14-10-12(14)13-9-11(16)5-6-15(13)18;/h5-6,9,12,14,18H,3-4,7-8,10H2,1-2H3;1H
InChIKeyAEXJVJBZDNXZKT-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride?
The IUPAC name of 2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride (CID 45264176) is 2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride?
The canonical SMILES for 2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride is CCCN(CCC)C1CC1c1cc(F)ccc1O.Cl.
What is the InChIKey of 2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride?
The InChIKey is AEXJVJBZDNXZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO.ClH/c1-3-7-17(8-4-2)14-10-12(14)13-9-11(16)5-6-15(13)18;/h5-6,9,12,14,18H,3-4,7-8,10H2,1-2H3;1H.
What are the key properties of 2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride?
2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride has a molecular weight of 287.81 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride is sourced from PubChem (CID 45264176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).