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

C12H17F2N — CID 43482933

IUPAC1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2N/c1-8(2)6-12(15-3)10-7-9(13)4-5-11(10)14/h4-5,7-8,12,15H,6H2,1-3H3
InChIKeyHHCSGJGAUYXJFO-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.27
Rot. Bonds4

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

1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine (PubChem CID 43482933) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
PubChem CID43482933
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2N/c1-8(2)6-12(15-3)10-7-9(13)4-5-11(10)14/h4-5,7-8,12,15H,6H2,1-3H3
InChIKeyHHCSGJGAUYXJFO-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine
CID 114201055
4-(2,5-difluorophenyl)-N-methylpentan-2-amine
CID 64720969
1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 63673272
1-(2,5-difluorophenyl)-N,3-dimethylbut-3-en-1-amine
CID 79184848
2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 43482863
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
2-(1-chloro-3-methylbutyl)-1,4-difluorobenzene
CID 61086362
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43674172
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol
CID 114200459
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072696
1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949729

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine (CID 43482933) is 1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine is CNC(CC(C)C)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine?
The InChIKey is HHCSGJGAUYXJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-8(2)6-12(15-3)10-7-9(13)4-5-11(10)14/h4-5,7-8,12,15H,6H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine?
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 43482933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).