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

C12H17F2N — CID 43484085

IUPAC1-(2,4-difluorophenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2N/c1-3-4-5-12(15-2)10-7-6-9(13)8-11(10)14/h6-8,12,15H,3-5H2,1-2H3
InChIKeyVMODZSTUQXTQNU-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.42
Rot. Bonds5

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

1-(2,4-difluorophenyl)-N-methylpentan-1-amine (PubChem CID 43484085) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methylpentan-1-amine
PubChem CID43484085
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-(2,4-difluorophenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2N/c1-3-4-5-12(15-2)10-7-6-9(13)8-11(10)14/h6-8,12,15H,3-5H2,1-2H3
InChIKeyVMODZSTUQXTQNU-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 81279034
1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
CID 55185685
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
1-(2-bromo-5-fluorophenyl)-N-methylhexan-1-amine
CID 115837109
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105143608
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43484135
1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417959
1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 62802366
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010
1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
CID 79724313
1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949729

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methylpentan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methylpentan-1-amine (CID 43484085) is 1-(2,4-difluorophenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methylpentan-1-amine is CCCCC(NC)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methylpentan-1-amine?
The InChIKey is VMODZSTUQXTQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-4-5-12(15-2)10-7-6-9(13)8-11(10)14/h6-8,12,15H,3-5H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methylpentan-1-amine?
1-(2,4-difluorophenyl)-N-methylpentan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 43484085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).