(2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine

C13H18F2N2 — CID 116943971

IUPAC(2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
SMILESCNCC1(C(N)c2ccc(F)cc2F)CCC1
InChIInChI=1S/C13H18F2N2/c1-17-8-13(5-2-6-13)12(16)10-4-3-9(14)7-11(10)15/h3-4,7,12,17H,2,5-6,8,16H2,1H3
InChIKeyGFIVNJIWKBQOFR-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.35
Rot. Bonds4

About (2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine

(2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine (PubChem CID 116943971) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
PubChem CID116943971
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
SMILESCNCC1(C(N)c2ccc(F)cc2F)CCC1
InChIInChI=1S/C13H18F2N2/c1-17-8-13(5-2-6-13)12(16)10-4-3-9(14)7-11(10)15/h3-4,7,12,17H,2,5-6,8,16H2,1H3
InChIKeyGFIVNJIWKBQOFR-UHFFFAOYSA-N
XLogP2.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol
CID 116943233
(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943513
(2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943597
[1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine
CID 116943982
1-[amino-(2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 116947042
(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943979
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
CID 116765464
(4-ethoxy-3-fluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943546
[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol
CID 116944249
(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79057699
[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
CID 116943976

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine?
The IUPAC name of (2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine (CID 116943971) is (2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine.
What is the SMILES notation for (2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine?
The canonical SMILES for (2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine is CNCC1(C(N)c2ccc(F)cc2F)CCC1.
What is the InChIKey of (2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine?
The InChIKey is GFIVNJIWKBQOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17-8-13(5-2-6-13)12(16)10-4-3-9(14)7-11(10)15/h3-4,7,12,17H,2,5-6,8,16H2,1H3.
What are the key properties of (2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine?
(2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine has a molecular weight of 240.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine is sourced from PubChem (CID 116943971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).