2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline

C12H17FN2 — CID 175233050

IUPAC2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline
SMILESCNc1c(F)cccc1C(C)N1CCC1
InChIInChI=1S/C12H17FN2/c1-9(15-7-4-8-15)10-5-3-6-11(13)12(10)14-2/h3,5-6,9,14H,4,7-8H2,1-2H3
InChIKeyONHZGNNAFCNHHE-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.63
Rot. Bonds3

About 2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline

2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline (PubChem CID 175233050) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline
PubChem CID175233050
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline
SMILESCNc1c(F)cccc1C(C)N1CCC1
InChIInChI=1S/C12H17FN2/c1-9(15-7-4-8-15)10-5-3-6-11(13)12(10)14-2/h3,5-6,9,14H,4,7-8H2,1-2H3
InChIKeyONHZGNNAFCNHHE-UHFFFAOYSA-N
XLogP2.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline?
The IUPAC name of 2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline (CID 175233050) is 2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline.
What is the SMILES notation for 2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline?
The canonical SMILES for 2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline is CNc1c(F)cccc1C(C)N1CCC1.
What is the InChIKey of 2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline?
The InChIKey is ONHZGNNAFCNHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9(15-7-4-8-15)10-5-3-6-11(13)12(10)14-2/h3,5-6,9,14H,4,7-8H2,1-2H3.
What are the key properties of 2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline?
2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline has a molecular weight of 208.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline is sourced from PubChem (CID 175233050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).