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

C14H20FNO — CID 112633776

IUPAC3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(NC1CC(O)C1(C)C)c1ccccc1F
InChIInChI=1S/C14H20FNO/c1-9(10-6-4-5-7-11(10)15)16-12-8-13(17)14(12,2)3/h4-7,9,12-13,16-17H,8H2,1-3H3
InChIKeyCRUQZDXDWXGVFW-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.64
Rot. Bonds3

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

3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633776) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID112633776
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(NC1CC(O)C1(C)C)c1ccccc1F
InChIInChI=1S/C14H20FNO/c1-9(10-6-4-5-7-11(10)15)16-12-8-13(17)14(12,2)3/h4-7,9,12-13,16-17H,8H2,1-3H3
InChIKeyCRUQZDXDWXGVFW-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 115977664
N-[1-(2-fluorophenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79353390
2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol
CID 114629009
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 81380158
trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol
CID 102733815
3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol
CID 112633908
N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine
CID 43223961
2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol
CID 112633899
3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 113372086
3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415603
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
(1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400949

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol (CID 112633776) is 3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol is CC(NC1CC(O)C1(C)C)c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is CRUQZDXDWXGVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9(10-6-4-5-7-11(10)15)16-12-8-13(17)14(12,2)3/h4-7,9,12-13,16-17H,8H2,1-3H3.
What are the key properties of 3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).