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

C12H18F2N2 — CID 116949729

IUPAC1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
SMILESCNC(CC(C)CN)c1ccc(F)cc1F
InChIInChI=1S/C12H18F2N2/c1-8(7-15)5-12(16-2)10-4-3-9(13)6-11(10)14/h3-4,6,8,12,16H,5,7,15H2,1-2H3
InChIKeyPNPZQSUPMRMCRD-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.21
Rot. Bonds5

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

1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine (PubChem CID 116949729) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
PubChem CID116949729
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
SMILESCNC(CC(C)CN)c1ccc(F)cc1F
InChIInChI=1S/C12H18F2N2/c1-8(7-15)5-12(16-2)10-4-3-9(13)6-11(10)14/h3-4,6,8,12,16H,5,7,15H2,1-2H3
InChIKeyPNPZQSUPMRMCRD-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949684
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43484135
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
1-(2,4-difluorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912601
1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine
CID 116934030
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 43482933
1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 62802366
1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444
1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 115845233
1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417959
1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine
CID 115641478

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine (CID 116949729) is 1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine is CNC(CC(C)CN)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine?
The InChIKey is PNPZQSUPMRMCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-8(7-15)5-12(16-2)10-4-3-9(13)6-11(10)14/h3-4,6,8,12,16H,5,7,15H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine?
1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine has a molecular weight of 228.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116949729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).