N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine

C14H20F2N2 — CID 115245915

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine
SMILESNCC1(CNCCc2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H20F2N2/c15-12-3-2-11(13(16)8-12)4-7-18-10-14(9-17)5-1-6-14/h2-3,8,18H,1,4-7,9-10,17H2
InChIKeyKABHMLVZLDIDMD-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.23
Rot. Bonds6

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine (PubChem CID 115245915) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine
PubChem CID115245915
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine
SMILESNCC1(CNCCc2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H20F2N2/c15-12-3-2-11(13(16)8-12)4-7-18-10-14(9-17)5-1-6-14/h2-3,8,18H,1,4-7,9-10,17H2
InChIKeyKABHMLVZLDIDMD-UHFFFAOYSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,4-difluorophenyl)ethyl]methanediamine
CID 115226055
N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196722
[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81418469
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202122
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine
CID 115245810
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 115249582
N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine
CID 115204562
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96659942
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115245897
3-[2-(2,4-difluorophenyl)ethylamino]propane-1-thiol
CID 115225126

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine (CID 115245915) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine is NCC1(CNCCc2ccc(F)cc2F)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine?
The InChIKey is KABHMLVZLDIDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c15-12-3-2-11(13(16)8-12)4-7-18-10-14(9-17)5-1-6-14/h2-3,8,18H,1,4-7,9-10,17H2.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine has a molecular weight of 254.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 115245915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).