2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine

C13H21FN2 — CID 79093303

IUPAC2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNC(Cc1cccc(F)c1)CN(C)C
InChIInChI=1S/C13H21FN2/c1-4-15-13(10-16(2)3)9-11-6-5-7-12(14)8-11/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyUMFYDWFYBLCMAS-UHFFFAOYSA-N
MW224.32 g/mol
LogP1.91
Rot. Bonds6

About 2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 79093303) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID79093303
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNC(Cc1cccc(F)c1)CN(C)C
InChIInChI=1S/C13H21FN2/c1-4-15-13(10-16(2)3)9-11-6-5-7-12(14)8-11/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyUMFYDWFYBLCMAS-UHFFFAOYSA-N
XLogP1.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 79093303) is 2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine is CCNC(Cc1cccc(F)c1)CN(C)C.
What is the InChIKey of 2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is UMFYDWFYBLCMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-15-13(10-16(2)3)9-11-6-5-7-12(14)8-11/h5-8,13,15H,4,9-10H2,1-3H3.
What are the key properties of 2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 79093303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).