2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol

C15H22FNO — CID 114832814

IUPAC2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccccc1F)C1CCCCCN1
InChIInChI=1S/C15H22FNO/c1-15(18,14-9-3-2-6-10-17-14)11-12-7-4-5-8-13(12)16/h4-5,7-8,14,17-18H,2-3,6,9-11H2,1H3
InChIKeyDQDDTGIEFSMLRI-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.65
Rot. Bonds3

About 2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol

2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol (PubChem CID 114832814) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol
PubChem CID114832814
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccccc1F)C1CCCCCN1
InChIInChI=1S/C15H22FNO/c1-15(18,14-9-3-2-6-10-17-14)11-12-7-4-5-8-13(12)16/h4-5,7-8,14,17-18H,2-3,6,9-11H2,1H3
InChIKeyDQDDTGIEFSMLRI-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-piperidin-4-ylpropan-2-ol
CID 105499385
2-[2-(2-fluorophenyl)propan-2-yl]pyrrolidine
CID 83909049
1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol
CID 105474764
2-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853698
1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol
CID 114832922
1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112652956
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831506
1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol
CID 112652978
2-[difluoro(phenyl)methyl]azepane
CID 105483060
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 138485227
cyclohexyl-phenyl-piperidin-2-ylmethanol
CID 23856895

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol (CID 114832814) is 2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol is CC(O)(Cc1ccccc1F)C1CCCCCN1.
What is the InChIKey of 2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol?
The InChIKey is DQDDTGIEFSMLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-15(18,14-9-3-2-6-10-17-14)11-12-7-4-5-8-13(12)16/h4-5,7-8,14,17-18H,2-3,6,9-11H2,1H3.
What are the key properties of 2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol?
2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol has a molecular weight of 251.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 114832814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).