N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine

C16H16F3N — CID 81447354

IUPACN-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cccc(F)c2F)c(F)c1
InChIInChI=1S/C16H16F3N/c1-10(2)20-9-11-6-7-12(15(18)8-11)13-4-3-5-14(17)16(13)19/h3-8,10,20H,9H2,1-2H3
InChIKeyZAYFQBZEUWYPHX-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.27
Rot. Bonds4

About N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine

N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine (PubChem CID 81447354) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine
PubChem CID81447354
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cccc(F)c2F)c(F)c1
InChIInChI=1S/C16H16F3N/c1-10(2)20-9-11-6-7-12(15(18)8-11)13-4-3-5-14(17)16(13)19/h3-8,10,20H,9H2,1-2H3
InChIKeyZAYFQBZEUWYPHX-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(2,3-difluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408883
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
N-[[4-(4-bromothiophen-3-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 81447752
2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine
CID 118803927
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile
CID 119005603
N-[[3-(2,3-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63943700
N-[[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 81446769
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 107514100
N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine
CID 158055117
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 115503150

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine (CID 81447354) is N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2cccc(F)c2F)c(F)c1.
What is the InChIKey of N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine?
The InChIKey is ZAYFQBZEUWYPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-10(2)20-9-11-6-7-12(15(18)8-11)13-4-3-5-14(17)16(13)19/h3-8,10,20H,9H2,1-2H3.
What are the key properties of N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine?
N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine has a molecular weight of 279.31 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 81447354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).