4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine

C13H20F2N2 — CID 113291249

IUPAC4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCNC(CCN(C)C)Cc1cccc(F)c1F
InChIInChI=1S/C13H20F2N2/c1-16-11(7-8-17(2)3)9-10-5-4-6-12(14)13(10)15/h4-6,11,16H,7-9H2,1-3H3
InChIKeyKXVXWQLSEZQOEI-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.05
Rot. Bonds6

About 4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine

4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (PubChem CID 113291249) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
PubChem CID113291249
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCNC(CCN(C)C)Cc1cccc(F)c1F
InChIInChI=1S/C13H20F2N2/c1-16-11(7-8-17(2)3)9-10-5-4-6-12(14)13(10)15/h4-6,11,16H,7-9H2,1-3H3
InChIKeyKXVXWQLSEZQOEI-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259354
1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine
CID 105037105
4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291231
1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105137730
3-(2,3-difluorophenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244886
4-(4-bromo-2-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346335
1-(2,3-difluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148436
1-(2,3-difluorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-2-amine
CID 115809477
1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 105003817
4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259150
4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244189
4-(2-bromo-4-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291269

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The IUPAC name of 4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (CID 113291249) is 4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The canonical SMILES for 4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is CNC(CCN(C)C)Cc1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The InChIKey is KXVXWQLSEZQOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-16-11(7-8-17(2)3)9-10-5-4-6-12(14)13(10)15/h4-6,11,16H,7-9H2,1-3H3.
What are the key properties of 4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is sourced from PubChem (CID 113291249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).