2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol

C15H22FNO — CID 10777150

IUPAC2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol
SMILESCCCN(CCC)[C@H]1C[C@@H]1c1cc(F)ccc1O
InChIInChI=1S/C15H22FNO/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/t12-,14+/m1/s1
InChIKeyOBBOTVUAHYTMPG-OCCSQVGLSA-N
MW251.34 g/mol
LogP3.51
Rot. Bonds6

About 2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol

2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol (PubChem CID 10777150) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol
PubChem CID10777150
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol
SMILESCCCN(CCC)[C@H]1C[C@@H]1c1cc(F)ccc1O
InChIInChI=1S/C15H22FNO/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/t12-,14+/m1/s1
InChIKeyOBBOTVUAHYTMPG-OCCSQVGLSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol?
The IUPAC name of 2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol (CID 10777150) is 2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol.
What is the SMILES notation for 2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol?
The canonical SMILES for 2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol is CCCN(CCC)[C@H]1C[C@@H]1c1cc(F)ccc1O.
What is the InChIKey of 2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol?
The InChIKey is OBBOTVUAHYTMPG-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22FNO/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/t12-,14+/m1/s1.
What are the key properties of 2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol?
2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol has a molecular weight of 251.34 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol is sourced from PubChem (CID 10777150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).