4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine

C12H18F2N2 — CID 114932542

IUPAC4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCN(C)CCC(N)Cc1c(F)cccc1F
InChIInChI=1S/C12H18F2N2/c1-16(2)7-6-9(15)8-10-11(13)4-3-5-12(10)14/h3-5,9H,6-8,15H2,1-2H3
InChIKeyTXPZLCOWFNKSIV-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.79
Rot. Bonds5

About 4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine

4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 114932542) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID114932542
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCN(C)CCC(N)Cc1c(F)cccc1F
InChIInChI=1S/C12H18F2N2/c1-16(2)7-6-9(15)8-10-11(13)4-3-5-12(10)14/h3-5,9H,6-8,15H2,1-2H3
InChIKeyTXPZLCOWFNKSIV-UHFFFAOYSA-N
XLogP1.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
1-(2,6-difluorophenyl)hept-6-en-2-amine
CID 104986671
4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291231
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine
CID 105005725
4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 82379119
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259354
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690
1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine
CID 105055601
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932102
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 114931874

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 114932542) is 4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine is CN(C)CCC(N)Cc1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is TXPZLCOWFNKSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-16(2)7-6-9(15)8-10-11(13)4-3-5-12(10)14/h3-5,9H,6-8,15H2,1-2H3.
What are the key properties of 4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 228.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 114932542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).