[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine

C14H20FN — CID 117316856

IUPAC[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
SMILESCC(C)(F)c1cccc(C2(CN)CCC2)c1
InChIInChI=1S/C14H20FN/c1-13(2,15)11-5-3-6-12(9-11)14(10-16)7-4-8-14/h3,5-6,9H,4,7-8,10,16H2,1-2H3
InChIKeyQXUNDVVERZTCDO-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.27
Rot. Bonds3

About [1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine

[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine (PubChem CID 117316856) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is [1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
PubChem CID117316856
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
SMILESCC(C)(F)c1cccc(C2(CN)CCC2)c1
InChIInChI=1S/C14H20FN/c1-13(2,15)11-5-3-6-12(9-11)14(10-16)7-4-8-14/h3,5-6,9H,4,7-8,10,16H2,1-2H3
InChIKeyQXUNDVVERZTCDO-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol
CID 117113422
[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 116992722
[1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine
CID 117113421
[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine
CID 116993044
[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117393045
[3-[3-(trifluoromethyl)phenyl]oxan-3-yl]methanamine
CID 83825736
[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 117316889
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
CID 82609365
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
CID 117113123
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
CID 117113390

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine (CID 117316856) is [1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine is CC(C)(F)c1cccc(C2(CN)CCC2)c1.
What is the InChIKey of [1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine?
The InChIKey is QXUNDVVERZTCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-13(2,15)11-5-3-6-12(9-11)14(10-16)7-4-8-14/h3,5-6,9H,4,7-8,10,16H2,1-2H3.
What are the key properties of [1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine?
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117316856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).