5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline

C11H14F2N2 — CID 117113164

IUPAC5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline
SMILESNCC1(c2cc(N)c(F)c(F)c2)CCC1
InChIInChI=1S/C11H14F2N2/c12-8-4-7(5-9(15)10(8)13)11(6-14)2-1-3-11/h4-5H,1-3,6,14-15H2
InChIKeyNZOSWSYETTWACU-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.93
Rot. Bonds2

About 5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline

5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline (PubChem CID 117113164) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline
PubChem CID117113164
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline
SMILESNCC1(c2cc(N)c(F)c(F)c2)CCC1
InChIInChI=1S/C11H14F2N2/c12-8-4-7(5-9(15)10(8)13)11(6-14)2-1-3-11/h4-5H,1-3,6,14-15H2
InChIKeyNZOSWSYETTWACU-UHFFFAOYSA-N
XLogP1.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(3,4-difluoro-5-nitrophenyl)cyclobutyl]methanamine
CID 117357181
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol
CID 84775167
[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine
CID 84806909
[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine
CID 117359755
4-[1-(aminomethyl)cyclopentyl]-2,6-difluorobenzoic acid
CID 117390771
[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine
CID 117351226
4-[1-(aminomethyl)cyclohexyl]-2,6-difluorobenzoic acid
CID 117426291
5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol
CID 84814384
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287
5-[1-(aminomethyl)cyclopropyl]-2,3-difluorobenzoic acid
CID 117326286

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline?
The IUPAC name of 5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline (CID 117113164) is 5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline.
What is the SMILES notation for 5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline?
The canonical SMILES for 5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline is NCC1(c2cc(N)c(F)c(F)c2)CCC1.
What is the InChIKey of 5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline?
The InChIKey is NZOSWSYETTWACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-8-4-7(5-9(15)10(8)13)11(6-14)2-1-3-11/h4-5H,1-3,6,14-15H2.
What are the key properties of 5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline?
5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline has a molecular weight of 212.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline is sourced from PubChem (CID 117113164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).