[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine

C12H15F2N — CID 117301607

IUPAC[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2cccc(C(F)F)c2)CCC1
InChIInChI=1S/C12H15F2N/c13-11(14)9-3-1-4-10(7-9)12(8-15)5-2-6-12/h1,3-4,7,11H,2,5-6,8,15H2
InChIKeyKRZRYPVCHUUABN-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.00
Rot. Bonds3

About [1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine

[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine (PubChem CID 117301607) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is [1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
PubChem CID117301607
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2cccc(C(F)F)c2)CCC1
InChIInChI=1S/C12H15F2N/c13-11(14)9-3-1-4-10(7-9)12(8-15)5-2-6-12/h1,3-4,7,11H,2,5-6,8,15H2
InChIKeyKRZRYPVCHUUABN-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
CID 117113123
[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine
CID 117113249
[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117310036
2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
CID 117326698
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
CID 82609365
1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117301569
[1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine
CID 117369663
[1-(3-cyclobutylphenyl)cyclobutyl]methanamine
CID 117307162
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
[3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol
CID 84609425
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301

Frequently Asked Questions

What is the IUPAC name of [1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine (CID 117301607) is [1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine is NCC1(c2cccc(C(F)F)c2)CCC1.
What is the InChIKey of [1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is KRZRYPVCHUUABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-11(14)9-3-1-4-10(7-9)12(8-15)5-2-6-12/h1,3-4,7,11H,2,5-6,8,15H2.
What are the key properties of [1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine?
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine has a molecular weight of 211.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117301607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).