1-(2,4-difluorophenyl)-5-phenylpentan-2-amine

C17H19F2N — CID 64559852

IUPAC1-(2,4-difluorophenyl)-5-phenylpentan-2-amine
SMILESNC(CCCc1ccccc1)Cc1ccc(F)cc1F
InChIInChI=1S/C17H19F2N/c18-15-10-9-14(17(19)12-15)11-16(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,16H,4,7-8,11,20H2
InChIKeyLBIWIDZEZOJGRF-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.86
Rot. Bonds6

About 1-(2,4-difluorophenyl)-5-phenylpentan-2-amine

1-(2,4-difluorophenyl)-5-phenylpentan-2-amine (PubChem CID 64559852) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-phenylpentan-2-amine
PubChem CID64559852
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(2,4-difluorophenyl)-5-phenylpentan-2-amine
SMILESNC(CCCc1ccccc1)Cc1ccc(F)cc1F
InChIInChI=1S/C17H19F2N/c18-15-10-9-14(17(19)12-15)11-16(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,16H,4,7-8,11,20H2
InChIKeyLBIWIDZEZOJGRF-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
CID 62196088
1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine
CID 102622741
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
CID 55095032
1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
CID 62196246
1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine
CID 64558701
7-phenylheptane-1,4-diamine
CID 174860311
[1-(2,4-difluorophenyl)-3-phenylpropan-2-yl]hydrazine
CID 105195329
1-(3-fluoro-4-methoxyphenyl)-5-phenylpentan-2-amine
CID 105122085
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
(1R)-1,4-diphenylbutan-1-amine
CID 7131342

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-phenylpentan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-5-phenylpentan-2-amine (CID 64559852) is 1-(2,4-difluorophenyl)-5-phenylpentan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-phenylpentan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-phenylpentan-2-amine is NC(CCCc1ccccc1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-phenylpentan-2-amine?
The InChIKey is LBIWIDZEZOJGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c18-15-10-9-14(17(19)12-15)11-16(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,16H,4,7-8,11,20H2.
What are the key properties of 1-(2,4-difluorophenyl)-5-phenylpentan-2-amine?
1-(2,4-difluorophenyl)-5-phenylpentan-2-amine has a molecular weight of 275.34 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-phenylpentan-2-amine is sourced from PubChem (CID 64559852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).