2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline

C13H19FN2 — CID 117118396

IUPAC2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline
SMILESCC(N)C1(c2cccc(F)c2N(C)C)CC1
InChIInChI=1S/C13H19FN2/c1-9(15)13(7-8-13)10-5-4-6-11(14)12(10)16(2)3/h4-6,9H,7-8,15H2,1-3H3
InChIKeyUNXLIEBKJRXSOH-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.27
Rot. Bonds3

About 2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline

2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline (PubChem CID 117118396) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline
PubChem CID117118396
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline
SMILESCC(N)C1(c2cccc(F)c2N(C)C)CC1
InChIInChI=1S/C13H19FN2/c1-9(15)13(7-8-13)10-5-4-6-11(14)12(10)16(2)3/h4-6,9H,7-8,15H2,1-3H3
InChIKeyUNXLIEBKJRXSOH-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

1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
CID 117398469
1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine
CID 117330234
2-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-N,N-dimethylaniline
CID 117318626
1-[2-(dimethylamino)-3-fluorophenyl]cyclobutane-1-carboxylic acid
CID 117114309
5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline
CID 117118391
1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
CID 117388142
1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117301571
1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117327900
1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine
CID 117360639
2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline
CID 117341054
1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine
CID 117347308
1-[1-(2-bromo-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432880

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline?
The IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline (CID 117118396) is 2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline?
The canonical SMILES for 2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline is CC(N)C1(c2cccc(F)c2N(C)C)CC1.
What is the InChIKey of 2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline?
The InChIKey is UNXLIEBKJRXSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9(15)13(7-8-13)10-5-4-6-11(14)12(10)16(2)3/h4-6,9H,7-8,15H2,1-3H3.
What are the key properties of 2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline?
2-[1-(1-aminoethyl)cyclopropyl]-6-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 2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 117118396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).