4-(aminomethyl)-3-fluoro-N,N-dimethylaniline

C9H13FN2 — CID 83383786

IUPAC4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C9H13FN2/c1-12(2)8-4-3-7(6-11)9(10)5-8/h3-5H,6,11H2,1-2H3
InChIKeyGLLZUCBGNVSAKG-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.35
Rot. Bonds2

About 4-(aminomethyl)-3-fluoro-N,N-dimethylaniline

4-(aminomethyl)-3-fluoro-N,N-dimethylaniline (PubChem CID 83383786) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
PubChem CID83383786
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C9H13FN2/c1-12(2)8-4-3-7(6-11)9(10)5-8/h3-5H,6,11H2,1-2H3
InChIKeyGLLZUCBGNVSAKG-UHFFFAOYSA-N
XLogP1.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluoro-N,N-dimethylaniline?
The IUPAC name of 4-(aminomethyl)-3-fluoro-N,N-dimethylaniline (CID 83383786) is 4-(aminomethyl)-3-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-fluoro-N,N-dimethylaniline?
The canonical SMILES for 4-(aminomethyl)-3-fluoro-N,N-dimethylaniline is CN(C)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-3-fluoro-N,N-dimethylaniline?
The InChIKey is GLLZUCBGNVSAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-12(2)8-4-3-7(6-11)9(10)5-8/h3-5H,6,11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-fluoro-N,N-dimethylaniline?
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline has a molecular weight of 168.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 83383786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).