2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine

C13H19F2N — CID 79298293

IUPAC2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(C(C)C)C(C)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2N/c1-8(2)13(16-4)9(3)11-6-5-10(14)7-12(11)15/h5-9,13,16H,1-4H3
InChIKeyKFWRQJZHIKAQSL-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.31
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine

2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine (PubChem CID 79298293) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine
PubChem CID79298293
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(C(C)C)C(C)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2N/c1-8(2)13(16-4)9(3)11-6-5-10(14)7-12(11)15/h5-9,13,16H,1-4H3
InChIKeyKFWRQJZHIKAQSL-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
CID 121459140
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
1-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
2-amino-3-(2,4-difluorophenyl)butan-1-ol
CID 83908387
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride
CID 89251980
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
CID 89477372
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine
CID 82972669

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine (CID 79298293) is 2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine is CNC(C(C)C)C(C)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine?
The InChIKey is KFWRQJZHIKAQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-8(2)13(16-4)9(3)11-6-5-10(14)7-12(11)15/h5-9,13,16H,1-4H3.
What are the key properties of 2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine?
2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine has a molecular weight of 227.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine is sourced from PubChem (CID 79298293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).