2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine

C14H21F2N — CID 62528521

IUPAC2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine
SMILESCCCC(CNCC)Cc1ccc(F)cc1F
InChIInChI=1S/C14H21F2N/c1-3-5-11(10-17-4-2)8-12-6-7-13(15)9-14(12)16/h6-7,9,11,17H,3-5,8,10H2,1-2H3
InChIKeyCHALLHRGBIVHLF-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.53
Rot. Bonds7

About 2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine

2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine (PubChem CID 62528521) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine
PubChem CID62528521
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine
SMILESCCCC(CNCC)Cc1ccc(F)cc1F
InChIInChI=1S/C14H21F2N/c1-3-5-11(10-17-4-2)8-12-6-7-13(15)9-14(12)16/h6-7,9,11,17H,3-5,8,10H2,1-2H3
InChIKeyCHALLHRGBIVHLF-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,4-difluorophenyl)methyl]pentan-1-amine
CID 62505725
2-[(2,4-dichlorophenyl)methyl]-N-ethylpentan-1-amine
CID 55196979
2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 114933368
3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430105
1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
CID 174433926
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
CID 113453859
2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine
CID 113471443
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 107897120
2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine
CID 105374860
2-[(2-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 63498524
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
CID 79433435

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine (CID 62528521) is 2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine is CCCC(CNCC)Cc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine?
The InChIKey is CHALLHRGBIVHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-3-5-11(10-17-4-2)8-12-6-7-13(15)9-14(12)16/h6-7,9,11,17H,3-5,8,10H2,1-2H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine?
2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine is sourced from PubChem (CID 62528521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).