[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine

C12H15F2N — CID 105411409

IUPAC[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine
SMILESNCC1CCC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c13-11-4-8(5-12(14)6-11)3-9-1-2-10(9)7-15/h4-6,9-10H,1-3,7,15H2
InChIKeyANXYFWYHTKXJAL-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.49
Rot. Bonds3

About [2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine

[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine (PubChem CID 105411409) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is [2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine
PubChem CID105411409
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine
SMILESNCC1CCC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c13-11-4-8(5-12(14)6-11)3-9-1-2-10(9)7-15/h4-6,9-10H,1-3,7,15H2
InChIKeyANXYFWYHTKXJAL-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009547
N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 105411454
[2-[(3-bromo-5-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanamine
CID 81011817
[2-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81011754
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
4-[(3,5-difluorophenyl)methyl]thiolan-3-amine
CID 105404563
1-bromo-2-[(3,5-difluorophenyl)methyl]cycloheptane
CID 105407761
[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012992
4-[(3,5-difluorophenyl)methyl]thiolan-3-ol
CID 105407728
1-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-3,5-difluorobenzene
CID 105407750
[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine
CID 81012661
N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017852

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine?
The IUPAC name of [2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine (CID 105411409) is [2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine is NCC1CCC1Cc1cc(F)cc(F)c1.
What is the InChIKey of [2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine?
The InChIKey is ANXYFWYHTKXJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-11-4-8(5-12(14)6-11)3-9-1-2-10(9)7-15/h4-6,9-10H,1-3,7,15H2.
What are the key properties of [2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine?
[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine has a molecular weight of 211.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 105411409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).