4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline

C13H19FN2 — CID 117318635

IUPAC4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(CN)CCC2)cc1F
InChIInChI=1S/C13H19FN2/c1-16(2)12-5-4-10(8-11(12)14)13(9-15)6-3-7-13/h4-5,8H,3,6-7,9,15H2,1-2H3
InChIKeyPPWYHXRYAPNKPN-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.27
Rot. Bonds3

About 4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline

4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline (PubChem CID 117318635) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline
PubChem CID117318635
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(CN)CCC2)cc1F
InChIInChI=1S/C13H19FN2/c1-16(2)12-5-4-10(8-11(12)14)13(9-15)6-3-7-13/h4-5,8H,3,6-7,9,15H2,1-2H3
InChIKeyPPWYHXRYAPNKPN-UHFFFAOYSA-N
XLogP2.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline
CID 117455123
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
CID 82609365
5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
CID 117112205
[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine
CID 117431326
[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
CID 82499353
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline
CID 117113164
[1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine
CID 117455576
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline?
The IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline (CID 117318635) is 4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline is CN(C)c1ccc(C2(CN)CCC2)cc1F.
What is the InChIKey of 4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline?
The InChIKey is PPWYHXRYAPNKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16(2)12-5-4-10(8-11(12)14)13(9-15)6-3-7-13/h4-5,8H,3,6-7,9,15H2,1-2H3.
What are the key properties of 4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline?
4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline has a molecular weight of 222.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 117318635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).