3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol

C15H22FNO — CID 115977773

IUPAC3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(Cc1cccc(F)c1)NC1CC(O)C1(C)C
InChIInChI=1S/C15H22FNO/c1-10(7-11-5-4-6-12(16)8-11)17-13-9-14(18)15(13,2)3/h4-6,8,10,13-14,17-18H,7,9H2,1-3H3
InChIKeySTYZICUUMRXHMA-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.51
Rot. Bonds4

About 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol

3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 115977773) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID115977773
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(Cc1cccc(F)c1)NC1CC(O)C1(C)C
InChIInChI=1S/C15H22FNO/c1-10(7-11-5-4-6-12(16)8-11)17-13-9-14(18)15(13,2)3/h4-6,8,10,13-14,17-18H,7,9H2,1-3H3
InChIKeySTYZICUUMRXHMA-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
N-[1-(3-fluorophenyl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114830677
3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol
CID 113260471
2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
CID 112633394
N-[1-(3-fluorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 114830841
N-[1-(3-fluorophenyl)propan-2-yl]-1,2-dimethylpiperidin-4-amine
CID 115723737
N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine
CID 115708061
2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol
CID 115972200
N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 115708819
3-(3-fluorophenyl)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 63010559
N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61222650
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 103788672

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol (CID 115977773) is 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol is CC(Cc1cccc(F)c1)NC1CC(O)C1(C)C.
What is the InChIKey of 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is STYZICUUMRXHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10(7-11-5-4-6-12(16)8-11)17-13-9-14(18)15(13,2)3/h4-6,8,10,13-14,17-18H,7,9H2,1-3H3.
What are the key properties of 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol?
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 251.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 115977773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).