5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline

C13H19FN2 — CID 117118391

IUPAC5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline
SMILESCC(N)C1(c2ccc(F)c(N(C)C)c2)CC1
InChIInChI=1S/C13H19FN2/c1-9(15)13(6-7-13)10-4-5-11(14)12(8-10)16(2)3/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyYYTBELDVPHGLBD-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.27
Rot. Bonds3

About 5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline

5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline (PubChem CID 117118391) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline
PubChem CID117118391
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline
SMILESCC(N)C1(c2ccc(F)c(N(C)C)c2)CC1
InChIInChI=1S/C13H19FN2/c1-9(15)13(6-7-13)10-4-5-11(14)12(8-10)16(2)3/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyYYTBELDVPHGLBD-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-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline
CID 117455098
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
CID 117046693
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
2-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-N,N-dimethylaniline
CID 117318626
1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine
CID 117312921
1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine
CID 117377665
5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117317155
1-[1-(4-chlorophenyl)cyclopentyl]ethanamine
CID 83691849
1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 83702166
1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117301569

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline?
The IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline (CID 117118391) is 5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline?
The canonical SMILES for 5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline is CC(N)C1(c2ccc(F)c(N(C)C)c2)CC1.
What is the InChIKey of 5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline?
The InChIKey is YYTBELDVPHGLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9(15)13(6-7-13)10-4-5-11(14)12(8-10)16(2)3/h4-5,8-9H,6-7,15H2,1-3H3.
What are the key properties of 5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline?
5-[1-(1-aminoethyl)cyclopropyl]-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 5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 117118391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).