1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine

C12H17F2N — CID 91482884

IUPAC1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine
SMILESCCCC(c1ccc(F)cc1F)N(C)C
InChIInChI=1S/C12H17F2N/c1-4-5-12(15(2)3)10-7-6-9(13)8-11(10)14/h6-8,12H,4-5H2,1-3H3
InChIKeyDFRHIMIYDDMSQC-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.37
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine

1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine (PubChem CID 91482884) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine
PubChem CID91482884
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine
SMILESCCCC(c1ccc(F)cc1F)N(C)C
InChIInChI=1S/C12H17F2N/c1-4-5-12(15(2)3)10-7-6-9(13)8-11(10)14/h6-8,12H,4-5H2,1-3H3
InChIKeyDFRHIMIYDDMSQC-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904820
1-(2,4-difluorophenyl)pentane-1,2-diol
CID 103455031
1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271035
1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene
CID 63433611
1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570816
(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
1-(2,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718342
1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
CID 89477372
1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79093891
1-(2,4-difluorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 62002798

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine (CID 91482884) is 1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine is CCCC(c1ccc(F)cc1F)N(C)C.
What is the InChIKey of 1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine?
The InChIKey is DFRHIMIYDDMSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-4-5-12(15(2)3)10-7-6-9(13)8-11(10)14/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine?
1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 91482884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).