2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine

C13H21FN2 — CID 62429680

IUPAC2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
SMILESCCC(CNC)N(CC)c1ccccc1F
InChIInChI=1S/C13H21FN2/c1-4-11(10-15-3)16(5-2)13-9-7-6-8-12(13)14/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyBDBFJKCUUABJBB-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.65
Rot. Bonds6

About 2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine

2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine (PubChem CID 62429680) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
PubChem CID62429680
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
SMILESCCC(CNC)N(CC)c1ccccc1F
InChIInChI=1S/C13H21FN2/c1-4-11(10-15-3)16(5-2)13-9-7-6-8-12(13)14/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyBDBFJKCUUABJBB-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine
CID 55074031
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CID 63492049
3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine
CID 43428349
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CID 82982466
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2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine
CID 114933384
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CID 116824647
3-fluoro-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,2-diamine
CID 79483525
1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol
CID 43506187
4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol
CID 64791728
2-[butan-2-yl(ethyl)amino]-6-fluorobenzonitrile
CID 79512921
2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 62435018

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine (CID 62429680) is 2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine is CCC(CNC)N(CC)c1ccccc1F.
What is the InChIKey of 2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine?
The InChIKey is BDBFJKCUUABJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-11(10-15-3)16(5-2)13-9-7-6-8-12(13)14/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine?
2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62429680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).