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

C12H18F2N2 — CID 116904820

IUPAC1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(N)CC(c1ccc(F)cc1F)N(C)C
InChIInChI=1S/C12H18F2N2/c1-8(15)6-12(16(2)3)10-5-4-9(13)7-11(10)14/h4-5,7-8,12H,6,15H2,1-3H3
InChIKeyQTTACVRAWDYWOL-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.30
Rot. Bonds4

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

1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 116904820) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID116904820
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(N)CC(c1ccc(F)cc1F)N(C)C
InChIInChI=1S/C12H18F2N2/c1-8(15)6-12(16(2)3)10-5-4-9(13)7-11(10)14/h4-5,7-8,12H,6,15H2,1-3H3
InChIKeyQTTACVRAWDYWOL-UHFFFAOYSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 91482884
1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
CID 89477372
1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527
1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271035
1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570816
(2,4-difluorophenyl)methanediamine
CID 116939170
(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
2-amino-3-(2,4-difluorophenyl)butan-1-ol
CID 83908387
1-(2,4-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62002988
2-(2,4-difluorophenyl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244787
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 116904820) is 1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine is CC(N)CC(c1ccc(F)cc1F)N(C)C.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is QTTACVRAWDYWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-8(15)6-12(16(2)3)10-5-4-9(13)7-11(10)14/h4-5,7-8,12H,6,15H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 228.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 116904820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).