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

C12H17F2N — CID 89477372

IUPAC1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
SMILESCC(C)C(c1ccc(F)cc1F)N(C)C
InChIInChI=1S/C12H17F2N/c1-8(2)12(15(3)4)10-6-5-9(13)7-11(10)14/h5-8,12H,1-4H3
InChIKeyHZYXFDDXIODHOG-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.22
Rot. Bonds3

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

1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine (PubChem CID 89477372) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
PubChem CID89477372
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
SMILESCC(C)C(c1ccc(F)cc1F)N(C)C
InChIInChI=1S/C12H17F2N/c1-8(2)12(15(3)4)10-6-5-9(13)7-11(10)14/h5-8,12H,1-4H3
InChIKeyHZYXFDDXIODHOG-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 121459140
(2,4-difluorophenyl)-(dimethylamino)methanol
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1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904820
1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82284502
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride
CID 89251980
2-[(2,4-difluorophenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107443637
1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 91482884
1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 90178952
1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
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2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine
CID 79298293

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine (CID 89477372) is 1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine is CC(C)C(c1ccc(F)cc1F)N(C)C.
What is the InChIKey of 1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine?
The InChIKey is HZYXFDDXIODHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-8(2)12(15(3)4)10-6-5-9(13)7-11(10)14/h5-8,12H,1-4H3.
What are the key properties of 1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine?
1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 3.22, 3 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,2-trimethylpropan-1-amine is sourced from PubChem (CID 89477372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).