4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline

C10H15FN2 — CID 84750842

IUPAC4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline
SMILESCNCc1cc(N(C)C)ccc1F
InChIInChI=1S/C10H15FN2/c1-12-7-8-6-9(13(2)3)4-5-10(8)11/h4-6,12H,7H2,1-3H3
InChIKeyCGIUUTANJULGLE-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.61
Rot. Bonds3

About 4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline

4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline (PubChem CID 84750842) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline
PubChem CID84750842
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline
SMILESCNCc1cc(N(C)C)ccc1F
InChIInChI=1S/C10H15FN2/c1-12-7-8-6-9(13(2)3)4-5-10(8)11/h4-6,12H,7H2,1-3H3
InChIKeyCGIUUTANJULGLE-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline?
The IUPAC name of 4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline (CID 84750842) is 4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline.
What is the SMILES notation for 4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline?
The canonical SMILES for 4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline is CNCc1cc(N(C)C)ccc1F.
What is the InChIKey of 4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline?
The InChIKey is CGIUUTANJULGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-12-7-8-6-9(13(2)3)4-5-10(8)11/h4-6,12H,7H2,1-3H3.
What are the key properties of 4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline?
4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline has a molecular weight of 182.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline is sourced from PubChem (CID 84750842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).