5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine

C13H19F2N — CID 65300561

IUPAC5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine
SMILESCC(C)(CCN)CCc1ccc(F)cc1F
InChIInChI=1S/C13H19F2N/c1-13(2,7-8-16)6-5-10-3-4-11(14)9-12(10)15/h3-4,9H,5-8,16H2,1-2H3
InChIKeySQDHVCZBWSCWMD-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.27
Rot. Bonds5

About 5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine

5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine (PubChem CID 65300561) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine
PubChem CID65300561
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine
SMILESCC(C)(CCN)CCc1ccc(F)cc1F
InChIInChI=1S/C13H19F2N/c1-13(2,7-8-16)6-5-10-3-4-11(14)9-12(10)15/h3-4,9H,5-8,16H2,1-2H3
InChIKeySQDHVCZBWSCWMD-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine
CID 115204562
N'-[2-(2,4-difluorophenyl)ethyl]methanediamine
CID 115226055
N-(5-amino-2,2-dimethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106140618
1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96659942
2-[2-(2,4-difluorophenyl)ethoxy]ethanamine
CID 65300666
1-(3-bromo-2,2-dimethylpropyl)-2,4-difluorobenzene
CID 66048183
N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645329
1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol
CID 62197542
2,4-difluoro-1-pentylbenzene
CID 20770613
2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine
CID 115124195
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65285630

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine (CID 65300561) is 5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine is CC(C)(CCN)CCc1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine?
The InChIKey is SQDHVCZBWSCWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-13(2,7-8-16)6-5-10-3-4-11(14)9-12(10)15/h3-4,9H,5-8,16H2,1-2H3.
What are the key properties of 5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine?
5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 65300561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).