3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine

C16H22FNO — CID 54917361

IUPAC3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCCC3CCCO3)C2)cc1
InChIInChI=1S/C16H22FNO/c17-14-5-3-12(4-6-14)13-10-15(11-13)18-8-7-16-2-1-9-19-16/h3-6,13,15-16,18H,1-2,7-11H2
InChIKeyVBTFIATXZWHNHB-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.23
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine

3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 54917361) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
PubChem CID54917361
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCCC3CCCO3)C2)cc1
InChIInChI=1S/C16H22FNO/c17-14-5-3-12(4-6-14)13-10-15(11-13)18-8-7-16-2-1-9-19-16/h3-6,13,15-16,18H,1-2,7-11H2
InChIKeyVBTFIATXZWHNHB-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61039964
3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 104530912
3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61040203
3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine
CID 120605728
3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine
CID 55014186
N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115967929
N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
(3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine
CID 97226472
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62134783
3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116642832
4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 103948092

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine (CID 54917361) is 3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine is Fc1ccc(C2CC(NCCC3CCCO3)C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is VBTFIATXZWHNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-14-5-3-12(4-6-14)13-10-15(11-13)18-8-7-16-2-1-9-19-16/h3-6,13,15-16,18H,1-2,7-11H2.
What are the key properties of 3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine?
3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 54917361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).