1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine

C12H15F2N — CID 105464919

IUPAC1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine
SMILESCNCC1(c2ccccc2)CC(F)(F)C1
InChIInChI=1S/C12H15F2N/c1-15-9-11(7-12(13,14)8-11)10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3
InChIKeyFTBRQDRQVNQLLF-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.57
Rot. Bonds3

About 1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine

1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine (PubChem CID 105464919) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine
PubChem CID105464919
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine
SMILESCNCC1(c2ccccc2)CC(F)(F)C1
InChIInChI=1S/C12H15F2N/c1-15-9-11(7-12(13,14)8-11)10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3
InChIKeyFTBRQDRQVNQLLF-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine
CID 105447374
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine
CID 65008179
N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine
CID 65009225
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine
CID 65004114
1-[5-(4-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008340
1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine
CID 143143751
N-methyl-1-[1-(4-methylphenyl)-3-phenylcyclobutyl]methanamine
CID 65014336
cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde
CID 70983966
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
CID 65008178
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 65007341

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine?
The IUPAC name of 1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine (CID 105464919) is 1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine is CNCC1(c2ccccc2)CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine?
The InChIKey is FTBRQDRQVNQLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-15-9-11(7-12(13,14)8-11)10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3.
What are the key properties of 1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine?
1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine has a molecular weight of 211.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine is sourced from PubChem (CID 105464919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).