2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine

C12H17F2N — CID 83835356

IUPAC2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
SMILESCNCC(c1cc(F)ccc1F)C(C)C
InChIInChI=1S/C12H17F2N/c1-8(2)11(7-15-3)10-6-9(13)4-5-12(10)14/h4-6,8,11,15H,7H2,1-3H3
InChIKeySLCOCFVCYBCUPX-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.92
Rot. Bonds4

About 2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine

2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine (PubChem CID 83835356) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
PubChem CID83835356
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
SMILESCNCC(c1cc(F)ccc1F)C(C)C
InChIInChI=1S/C12H17F2N/c1-8(2)11(7-15-3)10-6-9(13)4-5-12(10)14/h4-6,8,11,15H,7H2,1-3H3
InChIKeySLCOCFVCYBCUPX-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
3-(2,5-difluorophenyl)-4-methylpentanal
CID 83835212
N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195587
4-(2,5-difluorophenyl)-N-methylpentan-2-amine
CID 64720969
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 43482933
2-(4-bromopentan-2-yl)-1,4-difluorobenzene
CID 64720370
1-(2,5-difluorophenyl)-N-ethoxyethanamine
CID 115282507
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine
CID 116964332
1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215
2-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-methylbutan-1-ol
CID 79249000
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine (CID 83835356) is 2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine is CNCC(c1cc(F)ccc1F)C(C)C.
What is the InChIKey of 2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine?
The InChIKey is SLCOCFVCYBCUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-8(2)11(7-15-3)10-6-9(13)4-5-12(10)14/h4-6,8,11,15H,7H2,1-3H3.
What are the key properties of 2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine?
2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 83835356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).