1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine

C13H18FN — CID 65016881

IUPAC1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(N)(c2cccc(F)c2)C1
InChIInChI=1S/C13H18FN/c1-9(2)10-7-13(15,8-10)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyBDXMCIFQMFNPPF-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.05
Rot. Bonds2

About 1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine

1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine (PubChem CID 65016881) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine
PubChem CID65016881
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(N)(c2cccc(F)c2)C1
InChIInChI=1S/C13H18FN/c1-9(2)10-7-13(15,8-10)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyBDXMCIFQMFNPPF-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65017083
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 62387493
(1R)-2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 105432735
1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine
CID 107450086
2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde
CID 105458991
[2-(3-fluorophenyl)-2-methylcyclopropyl]methanol
CID 81358099
(1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105479070
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65016935
2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one
CID 137413962

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine (CID 65016881) is 1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine is CC(C)C1CC(N)(c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is BDXMCIFQMFNPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(2)10-7-13(15,8-10)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8,15H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine?
1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 65016881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).